2-fluoro-6-methylcyclohexan-1-one

C7H11FO — CID 130037542

IUPAC2-fluoro-6-methylcyclohexan-1-one
SMILESCC1CCCC(F)C1=O
InChIInChI=1S/C7H11FO/c1-5-3-2-4-6(8)7(5)9/h5-6H,2-4H2,1H3
InChIKeyCHVWRYSWQOSJAR-UHFFFAOYSA-N
MW130.16 g/mol
LogP1.71
Rot. Bonds

About 2-fluoro-6-methylcyclohexan-1-one

2-fluoro-6-methylcyclohexan-1-one (PubChem CID 130037542) has the molecular formula C7H11FO and a molecular weight of 130.16 g/mol. Its IUPAC name is 2-fluoro-6-methylcyclohexan-1-one.

Molecular Properties

Compound Name2-fluoro-6-methylcyclohexan-1-one
PubChem CID130037542
Molecular FormulaC7H11FO
Molecular Weight130.16 g/mol
Exact Mass130.08
IUPAC Name2-fluoro-6-methylcyclohexan-1-one
SMILESCC1CCCC(F)C1=O
InChIInChI=1S/C7H11FO/c1-5-3-2-4-6(8)7(5)9/h5-6H,2-4H2,1H3
InChIKeyCHVWRYSWQOSJAR-UHFFFAOYSA-N
XLogP1.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.16
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-methylcyclohexan-1-one?
The IUPAC name of 2-fluoro-6-methylcyclohexan-1-one (CID 130037542) is 2-fluoro-6-methylcyclohexan-1-one.
What is the SMILES notation for 2-fluoro-6-methylcyclohexan-1-one?
The canonical SMILES for 2-fluoro-6-methylcyclohexan-1-one is CC1CCCC(F)C1=O.
What is the InChIKey of 2-fluoro-6-methylcyclohexan-1-one?
The InChIKey is CHVWRYSWQOSJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FO/c1-5-3-2-4-6(8)7(5)9/h5-6H,2-4H2,1H3.
What are the key properties of 2-fluoro-6-methylcyclohexan-1-one?
2-fluoro-6-methylcyclohexan-1-one has a molecular weight of 130.16 g/mol, XLogP of 1.71, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-methylcyclohexan-1-one is sourced from PubChem (CID 130037542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).