2-cyclopentyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone

C14H14F4O — CID 114969279

IUPAC2-cyclopentyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone
SMILESO=C(CC1CCCC1)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C14H14F4O/c15-12-6-5-10(8-11(12)14(16,17)18)13(19)7-9-3-1-2-4-9/h5-6,8-9H,1-4,7H2
InChIKeyAFKVUHGCZQPZBY-UHFFFAOYSA-N
MW274.26 g/mol
LogP4.61
Rot. Bonds3

About 2-cyclopentyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone

2-cyclopentyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone (PubChem CID 114969279) has the molecular formula C14H14F4O and a molecular weight of 274.26 g/mol. Its IUPAC name is 2-cyclopentyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone
PubChem CID114969279
Molecular FormulaC14H14F4O
Molecular Weight274.26 g/mol
Exact Mass274.10
IUPAC Name2-cyclopentyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone
SMILESO=C(CC1CCCC1)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C14H14F4O/c15-12-6-5-10(8-11(12)14(16,17)18)13(19)7-9-3-1-2-4-9/h5-6,8-9H,1-4,7H2
InChIKeyAFKVUHGCZQPZBY-UHFFFAOYSA-N
XLogP4.61
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.26
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclohexyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone
CID 114967621
2-cycloheptyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanone
CID 107291304
2-cyclohexyl-1-(4-fluoro-3-methylphenyl)ethanone
CID 55096170
1-cyclopropyl-3-[4-fluoro-3-(trifluoromethyl)phenyl]propane-1,3-dione
CID 67614021
3-cyclopentyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]propan-1-one
CID 107291308
2-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone;hydrochloride
CID 66649987
2-cyclohexyl-1-(4-fluorophenyl)ethanone
CID 12505091
cyclohexyl 4-fluoro-3-(trifluoromethyl)benzoate
CID 63839194
1-[4-fluoro-3-(trifluoromethyl)phenyl]but-3-yn-1-one
CID 114961945
2-(ethylamino)-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone
CID 107290933
2-cyclohexyl-1-(3,4,5-trifluorophenyl)ethanone
CID 62620273
1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(methylamino)ethanone
CID 84698309

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 2-cyclopentyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone (CID 114969279) is 2-cyclopentyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone is O=C(CC1CCCC1)c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 2-cyclopentyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone?
The InChIKey is AFKVUHGCZQPZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F4O/c15-12-6-5-10(8-11(12)14(16,17)18)13(19)7-9-3-1-2-4-9/h5-6,8-9H,1-4,7H2.
What are the key properties of 2-cyclopentyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone?
2-cyclopentyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone has a molecular weight of 274.26 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 114969279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).