| CAS Number | 1374657-55-2 |
| Catalog Number | AG01FL8D(AGN-PC-3H4B31) |
| Chemical Name | 3,3-Difluorocyclohexanecarbaldehyde |
| IUPAC Name | 3,3-difluorocyclohexane-1-carbaldehyde |
| InChI | InChI=1S/C7H10F2O/c8-7(9)3-1-2-6(4-7)5-10/h5-6H,1-4H2 |
| InChI Key | HQMNJENYWJGTDD-UHFFFAOYSA-N |
| MDL Number | MFCD24856694 |
| Molecular Formula | C7H10F2O |
| Molecular Weight | 148.1505 |
| SMILES | O=CC1CCCC(C1)(F)F |
| Synonyms | 3,3-Difluorocyclohexanecarbaldehyde,
1374657-55-2,
SCHEMBL18992891,
3,3-difluorocyclohexane-1-carbaldehyde,
|
| Complexity | 134 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 148.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 148.153g/mol |
| Monoisotopic Mass | 148.07g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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