| CAS Number | 401-75-2 |
| Catalog Number | AG003798(AGN-PC-0LTGKM) |
| Chemical Name | (Trifluoromethyl)cyclohexane |
| IUPAC Name | trifluoromethylcyclohexane |
| InChI | InChI=1S/C7H11F3/c8-7(9,10)6-4-2-1-3-5-6/h6H,1-5H2 |
| InChI Key | QXPZOKVSFMRGMQ-UHFFFAOYSA-N |
| MDL Number | MFCD03412289 |
| Molecular Formula | C7H11F3 |
| Molecular Weight | 152.1574 |
| SMILES | FC(F)(F)C1CCCCC1 |
| Synonyms | (trifluoromethyl)cyclohexane,
401-75-2,
Trifluoromethylcyclohexane,
Cyclohexane, (trifluoromethyl)-,
EN300-87260,
AC1Q4JUD,
trifluoromethyl-cyclohexane,
AC1O5E8N,
SCHEMBL59958,
CTK1D4747,
DTXSID40424089,
MFCD03412289,
ZINC57218777,
AKOS025310402,
FCH1114154,
CID6432413,
T3628,
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| Complexity | 99.9 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 152.081g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 152.16g/mol |
| Monoisotopic Mass | 152.081g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
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Certificate of Analysis
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