| CAS Number | 871706-85-3 |
| Catalog Number | AG01A5ZM |
| Chemical Name | {5-[3-(Trifluoromethyl)phenyl]furan-2-yl}methanamine |
| IUPAC Name | [5-[3-(trifluoromethyl)phenyl]furan-2-yl]methanamine |
| InChI | InChI=1S/C12H10F3NO/c13-12(14,15)9-3-1-2-8(6-9)11-5-4-10(7-16)17-11/h1-6H,7,16H2 |
| InChI Key | IILPHDFBPOMDBG-UHFFFAOYSA-N |
| MDL Number | MFCD08442262 |
| Molecular Formula | C12H10F3NO |
| Molecular Weight | 241.2091 |
| SMILES | NCC1OC(C2=CC(C(F)(F)F)=CC=C2)=CC=1 |
| Synonyms | {5-[3-(trifluoromethyl)phenyl]furan-2-yl}methanamine,
871706-85-3,
{5-[3-(trifluoromethyl)phenyl]-2-furyl}methylamine,
(5-[3-(Trifluoromethyl)phenyl]-2-furyl)methylamine,
(5-(3-(trifluoromethyl)phenyl)furan-2-yl)methanamine,
SCHEMBL13270877,
CTK7E5185,
SBB018629,
STK693843,
ZINC11730416,
AKOS000125356,
MCULE-4115982507,
NE55876,
ST087823,
{5-[3-(trifluoromethyl)phenyl]-2-furyl}methanamine,
1-{5-[3-(trifluoromethyl)phenyl]furan-2-yl}methanamine,
F2121-0453,
[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methanamine,
|
| Complexity | 257 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.213g/mol |
| Monoisotopic Mass | 241.071g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number