2-cyclopentyl-1-[3-(trifluoromethoxy)phenyl]ethanone

C14H15F3O2 — CID 114971356

IUPAC2-cyclopentyl-1-[3-(trifluoromethoxy)phenyl]ethanone
SMILESO=C(CC1CCCC1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C14H15F3O2/c15-14(16,17)19-12-7-3-6-11(9-12)13(18)8-10-4-1-2-5-10/h3,6-7,9-10H,1-2,4-5,8H2
InChIKeyRDIFQRHOHYXABJ-UHFFFAOYSA-N
MW272.27 g/mol
LogP4.35
Rot. Bonds4

About 2-cyclopentyl-1-[3-(trifluoromethoxy)phenyl]ethanone

2-cyclopentyl-1-[3-(trifluoromethoxy)phenyl]ethanone (PubChem CID 114971356) has the molecular formula C14H15F3O2 and a molecular weight of 272.27 g/mol. Its IUPAC name is 2-cyclopentyl-1-[3-(trifluoromethoxy)phenyl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[3-(trifluoromethoxy)phenyl]ethanone
PubChem CID114971356
Molecular FormulaC14H15F3O2
Molecular Weight272.27 g/mol
Exact Mass272.10
IUPAC Name2-cyclopentyl-1-[3-(trifluoromethoxy)phenyl]ethanone
SMILESO=C(CC1CCCC1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C14H15F3O2/c15-14(16,17)19-12-7-3-6-11(9-12)13(18)8-10-4-1-2-5-10/h3,6-7,9-10H,1-2,4-5,8H2
InChIKeyRDIFQRHOHYXABJ-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-cyclohexyl-1-[3-(trifluoromethoxy)phenyl]ethanone
CID 114971407
1-(3-bromophenyl)-2-cyclopentylethanone
CID 62620769
(2-aminocyclohexyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 116579967
(1-aminocyclobutyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 116598545
2-cyclopentyl-1-[2-(trifluoromethoxy)phenyl]ethanone
CID 114970289
N-[[3-(cyclopentylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-(trifluoromethoxy)benzamide
CID 68777168
(4-methylcyclohexyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 63409770
7-chloro-1-[3-(trifluoromethoxy)phenyl]heptan-1-one
CID 24726789
2-(oxan-4-yl)-1-[4-(trifluoromethoxy)phenyl]ethanone
CID 114969179
2-cyclopentyl-1-phenylethanone;hydrochloride
CID 174593040
2-azido-1-[3-(trifluoromethoxy)phenyl]ethanone
CID 86632013
2-(4-chlorophenyl)-1-[3-(trifluoromethoxy)phenyl]ethanone
CID 63411353

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[3-(trifluoromethoxy)phenyl]ethanone?
The IUPAC name of 2-cyclopentyl-1-[3-(trifluoromethoxy)phenyl]ethanone (CID 114971356) is 2-cyclopentyl-1-[3-(trifluoromethoxy)phenyl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[3-(trifluoromethoxy)phenyl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[3-(trifluoromethoxy)phenyl]ethanone is O=C(CC1CCCC1)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 2-cyclopentyl-1-[3-(trifluoromethoxy)phenyl]ethanone?
The InChIKey is RDIFQRHOHYXABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3O2/c15-14(16,17)19-12-7-3-6-11(9-12)13(18)8-10-4-1-2-5-10/h3,6-7,9-10H,1-2,4-5,8H2.
What are the key properties of 2-cyclopentyl-1-[3-(trifluoromethoxy)phenyl]ethanone?
2-cyclopentyl-1-[3-(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-[3-(trifluoromethoxy)phenyl]ethanone is sourced from PubChem (CID 114971356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).