4,4-difluorocyclohexan-1-one

C6H8F2O — CID 15789092

IUPAC4,4-difluorocyclohexan-1-one
SMILESO=C1CCC(F)(F)CC1
InChIInChI=1S/C6H8F2O/c7-6(8)3-1-5(9)2-4-6/h1-4H2
InChIKeyNYYSPVRERVXMLJ-UHFFFAOYSA-N
MW134.12 g/mol
LogP1.76
Rot. Bonds

About 4,4-difluorocyclohexan-1-one

4,4-difluorocyclohexan-1-one (PubChem CID 15789092) has the molecular formula C6H8F2O and a molecular weight of 134.12 g/mol. Its IUPAC name is 4,4-difluorocyclohexan-1-one.

Molecular Properties

Compound Name4,4-difluorocyclohexan-1-one
PubChem CID15789092
Molecular FormulaC6H8F2O
Molecular Weight134.12 g/mol
Exact Mass134.05
IUPAC Name4,4-difluorocyclohexan-1-one
SMILESO=C1CCC(F)(F)CC1
InChIInChI=1S/C6H8F2O/c7-6(8)3-1-5(9)2-4-6/h1-4H2
InChIKeyNYYSPVRERVXMLJ-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Cyclohexanone
CID 7967
(2R)-2-fluorocyclohexan-1-one
CID 643117
2-Fluorocyclohexanone
CID 11829404
(2H10)Cyclohexanone
CID 12998629
Cyclohexanone-2,2,6,6-d4
CID 12998634
4-Fluorocyclohexan-1-one
CID 11999997
1,1,1-Trifluoroheptan-2-one
CID 13508559
1,1-Difluoro-2-hexanone
CID 21764785
1,1,1-Trifluoro-2-hexanone
CID 238292
(2S)-2-Fluorocyclohexan-1-one
CID 42552906
2-Heptanone, 1,7-difluoro-
CID 9519
2,2-Difluorocyclohexan-1-one
CID 12742622

Frequently Asked Questions

What is the IUPAC name of 4,4-difluorocyclohexan-1-one?
The IUPAC name of 4,4-difluorocyclohexan-1-one (CID 15789092) is 4,4-difluorocyclohexan-1-one.
What is the SMILES notation for 4,4-difluorocyclohexan-1-one?
The canonical SMILES for 4,4-difluorocyclohexan-1-one is O=C1CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluorocyclohexan-1-one?
The InChIKey is NYYSPVRERVXMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2O/c7-6(8)3-1-5(9)2-4-6/h1-4H2.
What are the key properties of 4,4-difluorocyclohexan-1-one?
4,4-difluorocyclohexan-1-one has a molecular weight of 134.12 g/mol, XLogP of 1.76, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluorocyclohexan-1-one is sourced from PubChem (CID 15789092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).