(4-fluorophenyl)-[2-(trifluoromethyl)cyclohexyl]methanone

C14H14F4O — CID 105078684

IUPAC(4-fluorophenyl)-[2-(trifluoromethyl)cyclohexyl]methanone
SMILESO=C(c1ccc(F)cc1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C14H14F4O/c15-10-7-5-9(6-8-10)13(19)11-3-1-2-4-12(11)14(16,17)18/h5-8,11-12H,1-4H2
InChIKeyBRJKIUIBULUMIM-UHFFFAOYSA-N
MW274.26 g/mol
LogP4.38
Rot. Bonds2

About (4-fluorophenyl)-[2-(trifluoromethyl)cyclohexyl]methanone

(4-fluorophenyl)-[2-(trifluoromethyl)cyclohexyl]methanone (PubChem CID 105078684) has the molecular formula C14H14F4O and a molecular weight of 274.26 g/mol. Its IUPAC name is (4-fluorophenyl)-[2-(trifluoromethyl)cyclohexyl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[2-(trifluoromethyl)cyclohexyl]methanone
PubChem CID105078684
Molecular FormulaC14H14F4O
Molecular Weight274.26 g/mol
Exact Mass274.10
IUPAC Name(4-fluorophenyl)-[2-(trifluoromethyl)cyclohexyl]methanone
SMILESO=C(c1ccc(F)cc1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C14H14F4O/c15-10-7-5-9(6-8-10)13(19)11-3-1-2-4-12(11)14(16,17)18/h5-8,11-12H,1-4H2
InChIKeyBRJKIUIBULUMIM-UHFFFAOYSA-N
XLogP4.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.26
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

cis-(1R,2S)-2-(4-fluorobenzoyl)cyclohexane-1-carboxylic acid
CID 2725092
trans-(1R,2R)-2-(4-fluorobenzoyl)cyclohexane-1-carboxylate
CID 11921386
(4-amino-3-chlorophenyl)-[2-(trifluoromethyl)cyclohexyl]methanone
CID 104622846
pyridin-3-yl-[2-(trifluoromethyl)cyclohexyl]methanone
CID 105081172
(3-ethylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanone
CID 105120186
furan-2-yl-[2-(trifluoromethyl)cyclohexyl]methanone
CID 105099254
cis-(1R,2S)-2-(trifluoromethyl)cyclohexane-1-carbonyl fluoride
CID 45081770
2-[4-(trifluoromethyl)benzoyl]cyclohexane-1-carboxylic acid
CID 69189577
2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 4206055
(4-methoxy-2-methylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanone
CID 105084741
cyclopropyl-[2-(trifluoromethyl)cyclohexyl]methanone
CID 105107408
carbonic acid;cyclopropyl-(4-fluorophenyl)methanone
CID 70591136

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[2-(trifluoromethyl)cyclohexyl]methanone?
The IUPAC name of (4-fluorophenyl)-[2-(trifluoromethyl)cyclohexyl]methanone (CID 105078684) is (4-fluorophenyl)-[2-(trifluoromethyl)cyclohexyl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[2-(trifluoromethyl)cyclohexyl]methanone?
The canonical SMILES for (4-fluorophenyl)-[2-(trifluoromethyl)cyclohexyl]methanone is O=C(c1ccc(F)cc1)C1CCCCC1C(F)(F)F.
What is the InChIKey of (4-fluorophenyl)-[2-(trifluoromethyl)cyclohexyl]methanone?
The InChIKey is BRJKIUIBULUMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F4O/c15-10-7-5-9(6-8-10)13(19)11-3-1-2-4-12(11)14(16,17)18/h5-8,11-12H,1-4H2.
What are the key properties of (4-fluorophenyl)-[2-(trifluoromethyl)cyclohexyl]methanone?
(4-fluorophenyl)-[2-(trifluoromethyl)cyclohexyl]methanone has a molecular weight of 274.26 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[2-(trifluoromethyl)cyclohexyl]methanone is sourced from PubChem (CID 105078684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).