4,4-difluoro-3-methoxycyclohexan-1-one

C7H10F2O2 — CID 170900282

IUPAC4,4-difluoro-3-methoxycyclohexan-1-one
SMILESCOC1CC(=O)CCC1(F)F
InChIInChI=1S/C7H10F2O2/c1-11-6-4-5(10)2-3-7(6,8)9/h6H,2-4H2,1H3
InChIKeyIPUUFOZGPISILK-UHFFFAOYSA-N
MW164.15 g/mol
LogP1.39
Rot. Bonds1

About 4,4-difluoro-3-methoxycyclohexan-1-one

4,4-difluoro-3-methoxycyclohexan-1-one (PubChem CID 170900282) has the molecular formula C7H10F2O2 and a molecular weight of 164.15 g/mol. Its IUPAC name is 4,4-difluoro-3-methoxycyclohexan-1-one.

Molecular Properties

Compound Name4,4-difluoro-3-methoxycyclohexan-1-one
PubChem CID170900282
Molecular FormulaC7H10F2O2
Molecular Weight164.15 g/mol
Exact Mass164.06
IUPAC Name4,4-difluoro-3-methoxycyclohexan-1-one
SMILESCOC1CC(=O)CCC1(F)F
InChIInChI=1S/C7H10F2O2/c1-11-6-4-5(10)2-3-7(6,8)9/h6H,2-4H2,1H3
InChIKeyIPUUFOZGPISILK-UHFFFAOYSA-N
XLogP1.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.15
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-3-methoxycyclohexan-1-one?
The IUPAC name of 4,4-difluoro-3-methoxycyclohexan-1-one (CID 170900282) is 4,4-difluoro-3-methoxycyclohexan-1-one.
What is the SMILES notation for 4,4-difluoro-3-methoxycyclohexan-1-one?
The canonical SMILES for 4,4-difluoro-3-methoxycyclohexan-1-one is COC1CC(=O)CCC1(F)F.
What is the InChIKey of 4,4-difluoro-3-methoxycyclohexan-1-one?
The InChIKey is IPUUFOZGPISILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2O2/c1-11-6-4-5(10)2-3-7(6,8)9/h6H,2-4H2,1H3.
What are the key properties of 4,4-difluoro-3-methoxycyclohexan-1-one?
4,4-difluoro-3-methoxycyclohexan-1-one has a molecular weight of 164.15 g/mol, XLogP of 1.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-3-methoxycyclohexan-1-one is sourced from PubChem (CID 170900282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).