2-methyl-6-(trifluoromethyl)cyclohexan-1-one

C8H11F3O — CID 24944712

IUPAC2-methyl-6-(trifluoromethyl)cyclohexan-1-one
SMILESCC1CCCC(C(F)(F)F)C1=O
InChIInChI=1S/C8H11F3O/c1-5-3-2-4-6(7(5)12)8(9,10)11/h5-6H,2-4H2,1H3
InChIKeyFXWOJJUXDKHUMK-UHFFFAOYSA-N
MW180.17 g/mol
LogP2.55
Rot. Bonds

About 2-methyl-6-(trifluoromethyl)cyclohexan-1-one

2-methyl-6-(trifluoromethyl)cyclohexan-1-one (PubChem CID 24944712) has the molecular formula C8H11F3O and a molecular weight of 180.17 g/mol. Its IUPAC name is 2-methyl-6-(trifluoromethyl)cyclohexan-1-one.

Molecular Properties

Compound Name2-methyl-6-(trifluoromethyl)cyclohexan-1-one
PubChem CID24944712
Molecular FormulaC8H11F3O
Molecular Weight180.17 g/mol
Exact Mass180.08
IUPAC Name2-methyl-6-(trifluoromethyl)cyclohexan-1-one
SMILESCC1CCCC(C(F)(F)F)C1=O
InChIInChI=1S/C8H11F3O/c1-5-3-2-4-6(7(5)12)8(9,10)11/h5-6H,2-4H2,1H3
InChIKeyFXWOJJUXDKHUMK-UHFFFAOYSA-N
XLogP2.55
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(trifluoromethyl)cyclohexan-1-one?
The IUPAC name of 2-methyl-6-(trifluoromethyl)cyclohexan-1-one (CID 24944712) is 2-methyl-6-(trifluoromethyl)cyclohexan-1-one.
What is the SMILES notation for 2-methyl-6-(trifluoromethyl)cyclohexan-1-one?
The canonical SMILES for 2-methyl-6-(trifluoromethyl)cyclohexan-1-one is CC1CCCC(C(F)(F)F)C1=O.
What is the InChIKey of 2-methyl-6-(trifluoromethyl)cyclohexan-1-one?
The InChIKey is FXWOJJUXDKHUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3O/c1-5-3-2-4-6(7(5)12)8(9,10)11/h5-6H,2-4H2,1H3.
What are the key properties of 2-methyl-6-(trifluoromethyl)cyclohexan-1-one?
2-methyl-6-(trifluoromethyl)cyclohexan-1-one has a molecular weight of 180.17 g/mol, XLogP of 2.55, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(trifluoromethyl)cyclohexan-1-one is sourced from PubChem (CID 24944712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).