(2S)-2-(trifluoromethyl)cyclohexan-1-one

C7H9F3O — CID 7021848

IUPAC(2S)-2-(trifluoromethyl)cyclohexan-1-one
SMILESO=C1CCCC[C@@H]1C(F)(F)F
InChIInChI=1S/C7H9F3O/c8-7(9,10)5-3-1-2-4-6(5)11/h5H,1-4H2/t5-/m0/s1
InChIKeyRZSQHJQIBOWYSQ-YFKPBYRVSA-N
MW166.14 g/mol
LogP2.31
Rot. Bonds

About (2S)-2-(trifluoromethyl)cyclohexan-1-one

(2S)-2-(trifluoromethyl)cyclohexan-1-one (PubChem CID 7021848) has the molecular formula C7H9F3O and a molecular weight of 166.14 g/mol. Its IUPAC name is (2S)-2-(trifluoromethyl)cyclohexan-1-one.

Molecular Properties

Compound Name(2S)-2-(trifluoromethyl)cyclohexan-1-one
PubChem CID7021848
Molecular FormulaC7H9F3O
Molecular Weight166.14 g/mol
Exact Mass166.06
IUPAC Name(2S)-2-(trifluoromethyl)cyclohexan-1-one
SMILESO=C1CCCC[C@@H]1C(F)(F)F
InChIInChI=1S/C7H9F3O/c8-7(9,10)5-3-1-2-4-6(5)11/h5H,1-4H2/t5-/m0/s1
InChIKeyRZSQHJQIBOWYSQ-YFKPBYRVSA-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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Related Compounds

2,2-difluoro-2-(2-oxocyclohexyl)acetic acid
CID 84719815
1-(cyclohexen-1-yl)pyrrolidine;2-(trifluoromethyl)cyclohexan-1-one
CID 158819532
2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl)cyclohexan-1-one
CID 14914260
6-methyl-2-(trifluoromethyl)cycloheptan-1-one
CID 102394139
2-[(2R)-2-hydroxy-3-oxobutan-2-yl]cyclohexan-1-one
CID 14936116
(3aR,8aR)-2,3,3a,5,6,7,8,8a-octahydroazulene-1,4-dione
CID 12696314
(2S)-2-(2,2,2-trifluoroacetyl)cycloheptan-1-one
CID 98060988
2-(2,3,3-trimethylbutan-2-yl)cyclopentan-1-one
CID 23559828
1-methylidene-2-(trifluoromethyl)cyclopentane
CID 18520883
2-phosphanylcyclohexan-1-one;trifluoromethanesulfonic acid
CID 162622821
1-(2-oxocyclododecyl)ethane-1,1,2,2-tetracarbonitrile
CID 534577
(3S)-3-(trifluoromethyl)oxan-2-one
CID 146165160

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(trifluoromethyl)cyclohexan-1-one?
The IUPAC name of (2S)-2-(trifluoromethyl)cyclohexan-1-one (CID 7021848) is (2S)-2-(trifluoromethyl)cyclohexan-1-one.
What is the SMILES notation for (2S)-2-(trifluoromethyl)cyclohexan-1-one?
The canonical SMILES for (2S)-2-(trifluoromethyl)cyclohexan-1-one is O=C1CCCC[C@@H]1C(F)(F)F.
What is the InChIKey of (2S)-2-(trifluoromethyl)cyclohexan-1-one?
The InChIKey is RZSQHJQIBOWYSQ-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H9F3O/c8-7(9,10)5-3-1-2-4-6(5)11/h5H,1-4H2/t5-/m0/s1.
What are the key properties of (2S)-2-(trifluoromethyl)cyclohexan-1-one?
(2S)-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 (2S)-2-(trifluoromethyl)cyclohexan-1-one is sourced from PubChem (CID 7021848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).