3,4-difluorocyclohexan-1-one

C6H8F2O — CID 89251139

IUPAC3,4-difluorocyclohexan-1-one
SMILESO=C1CCC(F)C(F)C1
InChIInChI=1S/C6H8F2O/c7-5-2-1-4(9)3-6(5)8/h5-6H,1-3H2
InChIKeyPZYLRZHNLHFGPC-UHFFFAOYSA-N
MW134.12 g/mol
LogP1.42
Rot. Bonds

About 3,4-difluorocyclohexan-1-one

3,4-difluorocyclohexan-1-one (PubChem CID 89251139) has the molecular formula C6H8F2O and a molecular weight of 134.12 g/mol. Its IUPAC name is 3,4-difluorocyclohexan-1-one.

Molecular Properties

Compound Name3,4-difluorocyclohexan-1-one
PubChem CID89251139
Molecular FormulaC6H8F2O
Molecular Weight134.12 g/mol
Exact Mass134.05
IUPAC Name3,4-difluorocyclohexan-1-one
SMILESO=C1CCC(F)C(F)C1
InChIInChI=1S/C6H8F2O/c7-5-2-1-4(9)3-6(5)8/h5-6H,1-3H2
InChIKeyPZYLRZHNLHFGPC-UHFFFAOYSA-N
XLogP1.42
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.12
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-difluorocyclohexan-1-one?
The IUPAC name of 3,4-difluorocyclohexan-1-one (CID 89251139) is 3,4-difluorocyclohexan-1-one.
What is the SMILES notation for 3,4-difluorocyclohexan-1-one?
The canonical SMILES for 3,4-difluorocyclohexan-1-one is O=C1CCC(F)C(F)C1.
What is the InChIKey of 3,4-difluorocyclohexan-1-one?
The InChIKey is PZYLRZHNLHFGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2O/c7-5-2-1-4(9)3-6(5)8/h5-6H,1-3H2.
What are the key properties of 3,4-difluorocyclohexan-1-one?
3,4-difluorocyclohexan-1-one has a molecular weight of 134.12 g/mol, XLogP of 1.42, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluorocyclohexan-1-one is sourced from PubChem (CID 89251139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).