2-(trifluoromethyl)cyclohexan-1-one

C7H9F3O — CID 2777488

IUPAC2-(trifluoromethyl)cyclohexan-1-one
SMILESO=C1CCCCC1C(F)(F)F
InChIInChI=1S/C7H9F3O/c8-7(9,10)5-3-1-2-4-6(5)11/h5H,1-4H2
InChIKeyRZSQHJQIBOWYSQ-UHFFFAOYSA-N
MW166.14 g/mol
LogP2.31
Rot. Bonds

About 2-(trifluoromethyl)cyclohexan-1-one

2-(trifluoromethyl)cyclohexan-1-one (PubChem CID 2777488) has the molecular formula C7H9F3O and a molecular weight of 166.14 g/mol. Its IUPAC name is 2-(trifluoromethyl)cyclohexan-1-one.

Molecular Properties

Compound Name2-(trifluoromethyl)cyclohexan-1-one
PubChem CID2777488
Molecular FormulaC7H9F3O
Molecular Weight166.14 g/mol
Exact Mass166.06
IUPAC Name2-(trifluoromethyl)cyclohexan-1-one
SMILESO=C1CCCCC1C(F)(F)F
InChIInChI=1S/C7H9F3O/c8-7(9,10)5-3-1-2-4-6(5)11/h5H,1-4H2
InChIKeyRZSQHJQIBOWYSQ-UHFFFAOYSA-N
XLogP2.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.14
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)cyclohexan-1-one?
The IUPAC name of 2-(trifluoromethyl)cyclohexan-1-one (CID 2777488) is 2-(trifluoromethyl)cyclohexan-1-one.
What is the SMILES notation for 2-(trifluoromethyl)cyclohexan-1-one?
The canonical SMILES for 2-(trifluoromethyl)cyclohexan-1-one is O=C1CCCCC1C(F)(F)F.
What is the InChIKey of 2-(trifluoromethyl)cyclohexan-1-one?
The InChIKey is RZSQHJQIBOWYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3O/c8-7(9,10)5-3-1-2-4-6(5)11/h5H,1-4H2.
What are the key properties of 2-(trifluoromethyl)cyclohexan-1-one?
2-(trifluoromethyl)cyclohexan-1-one has a molecular weight of 166.14 g/mol, XLogP of 2.31, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)cyclohexan-1-one is sourced from PubChem (CID 2777488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).