2-cyclopentyl-1-[2-(trifluoromethoxy)phenyl]ethanone

C14H15F3O2 — CID 114970289

IUPAC2-cyclopentyl-1-[2-(trifluoromethoxy)phenyl]ethanone
SMILESO=C(CC1CCCC1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C14H15F3O2/c15-14(16,17)19-13-8-4-3-7-11(13)12(18)9-10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,9H2
InChIKeyHPHNEZLWCXNDNT-UHFFFAOYSA-N
MW272.27 g/mol
LogP4.35
Rot. Bonds4

About 2-cyclopentyl-1-[2-(trifluoromethoxy)phenyl]ethanone

2-cyclopentyl-1-[2-(trifluoromethoxy)phenyl]ethanone (PubChem CID 114970289) has the molecular formula C14H15F3O2 and a molecular weight of 272.27 g/mol. Its IUPAC name is 2-cyclopentyl-1-[2-(trifluoromethoxy)phenyl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[2-(trifluoromethoxy)phenyl]ethanone
PubChem CID114970289
Molecular FormulaC14H15F3O2
Molecular Weight272.27 g/mol
Exact Mass272.10
IUPAC Name2-cyclopentyl-1-[2-(trifluoromethoxy)phenyl]ethanone
SMILESO=C(CC1CCCC1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C14H15F3O2/c15-14(16,17)19-13-8-4-3-7-11(13)12(18)9-10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,9H2
InChIKeyHPHNEZLWCXNDNT-UHFFFAOYSA-N
XLogP4.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyl-1-(2-ethoxyphenyl)ethanone
CID 115533350
2-(trifluoromethoxy)benzoate
CID 6933714
2-cyclopentyl-1-[3-(trifluoromethoxy)phenyl]ethanone
CID 114971356
1-(2-chlorophenyl)-2-cyclohexylethanone
CID 62622311
2-(dimethylamino)-1-[2-(trifluoromethoxy)phenyl]ethanone
CID 79018019
2-cyclohexyl-1-[3-(trifluoromethoxy)phenyl]ethanone
CID 114971407
(9,9-dioxo-9λ6-thiabicyclo[3.3.1]nonan-3-yl)-[2-(trifluoromethoxy)phenyl]methanone
CID 171949302
9-thiabicyclo[3.3.1]nonan-3-yl-[2-(trifluoromethoxy)phenyl]methanone
CID 171949300
2-cyclopropyl-1-(2-propoxyphenyl)ethanone
CID 104659396
8-oxabicyclo[3.2.1]octan-3-yl-[2-(trifluoromethoxy)phenyl]methanone
CID 171949290
3-(propan-2-ylamino)-1-[2-(trifluoromethoxy)phenyl]propan-1-one
CID 116556380
2-cyclobutyl-1-(2-methylphenyl)ethanone
CID 65460155

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[2-(trifluoromethoxy)phenyl]ethanone?
The IUPAC name of 2-cyclopentyl-1-[2-(trifluoromethoxy)phenyl]ethanone (CID 114970289) is 2-cyclopentyl-1-[2-(trifluoromethoxy)phenyl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[2-(trifluoromethoxy)phenyl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[2-(trifluoromethoxy)phenyl]ethanone is O=C(CC1CCCC1)c1ccccc1OC(F)(F)F.
What is the InChIKey of 2-cyclopentyl-1-[2-(trifluoromethoxy)phenyl]ethanone?
The InChIKey is HPHNEZLWCXNDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3O2/c15-14(16,17)19-13-8-4-3-7-11(13)12(18)9-10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,9H2.
What are the key properties of 2-cyclopentyl-1-[2-(trifluoromethoxy)phenyl]ethanone?
2-cyclopentyl-1-[2-(trifluoromethoxy)phenyl]ethanone has a molecular weight of 272.27 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[2-(trifluoromethoxy)phenyl]ethanone is sourced from PubChem (CID 114970289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).