(1-methoxycyclopentyl)-[2-(trifluoromethyl)phenyl]methanone

C14H15F3O2 — CID 113432684

IUPAC(1-methoxycyclopentyl)-[2-(trifluoromethyl)phenyl]methanone
SMILESCOC1(C(=O)c2ccccc2C(F)(F)F)CCCC1
InChIInChI=1S/C14H15F3O2/c1-19-13(8-4-5-9-13)12(18)10-6-2-3-7-11(10)14(15,16)17/h2-3,6-7H,4-5,8-9H2,1H3
InChIKeyJJFOJVGBQVMBAF-UHFFFAOYSA-N
MW272.27 g/mol
LogP3.85
Rot. Bonds3

About (1-methoxycyclopentyl)-[2-(trifluoromethyl)phenyl]methanone

(1-methoxycyclopentyl)-[2-(trifluoromethyl)phenyl]methanone (PubChem CID 113432684) has the molecular formula C14H15F3O2 and a molecular weight of 272.27 g/mol. Its IUPAC name is (1-methoxycyclopentyl)-[2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(1-methoxycyclopentyl)-[2-(trifluoromethyl)phenyl]methanone
PubChem CID113432684
Molecular FormulaC14H15F3O2
Molecular Weight272.27 g/mol
Exact Mass272.10
IUPAC Name(1-methoxycyclopentyl)-[2-(trifluoromethyl)phenyl]methanone
SMILESCOC1(C(=O)c2ccccc2C(F)(F)F)CCCC1
InChIInChI=1S/C14H15F3O2/c1-19-13(8-4-5-9-13)12(18)10-6-2-3-7-11(10)14(15,16)17/h2-3,6-7H,4-5,8-9H2,1H3
InChIKeyJJFOJVGBQVMBAF-UHFFFAOYSA-N
XLogP3.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1-ethoxycyclopentyl)-[2-(trifluoromethyl)phenyl]methanone
CID 116747862
(1-methoxycycloheptyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102707746
[1-(dimethylamino)cyclohexyl]-[2-(trifluoromethyl)phenyl]methanone
CID 79062257
(1-methoxycyclopentyl)-(2-propan-2-yloxyphenyl)methanone
CID 104610131
(1-methoxycycloheptyl)-[3-(trifluoromethyl)phenyl]methanone
CID 116750643
(1-methoxycyclopentyl)-(2,3,4-trifluorophenyl)methanone
CID 113432662
methyl 2-(trifluoromethyl)benzoate
CID 2775578
2-(1-aminocyclopentyl)-1-[2-(trifluoromethyl)phenyl]ethanone
CID 116578791
(1-methoxycyclobutyl)-(2,3,4-trifluorophenyl)methanone
CID 116707050
(1-methoxycycloheptyl)-(5-methylthiophen-2-yl)methanone
CID 116750454
N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-2-(trifluoromethyl)benzamide
CID 110125899
N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-2-(trifluoromethyl)benzamide
CID 75456837

Frequently Asked Questions

What is the IUPAC name of (1-methoxycyclopentyl)-[2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (1-methoxycyclopentyl)-[2-(trifluoromethyl)phenyl]methanone (CID 113432684) is (1-methoxycyclopentyl)-[2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (1-methoxycyclopentyl)-[2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (1-methoxycyclopentyl)-[2-(trifluoromethyl)phenyl]methanone is COC1(C(=O)c2ccccc2C(F)(F)F)CCCC1.
What is the InChIKey of (1-methoxycyclopentyl)-[2-(trifluoromethyl)phenyl]methanone?
The InChIKey is JJFOJVGBQVMBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3O2/c1-19-13(8-4-5-9-13)12(18)10-6-2-3-7-11(10)14(15,16)17/h2-3,6-7H,4-5,8-9H2,1H3.
What are the key properties of (1-methoxycyclopentyl)-[2-(trifluoromethyl)phenyl]methanone?
(1-methoxycyclopentyl)-[2-(trifluoromethyl)phenyl]methanone has a molecular weight of 272.27 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxycyclopentyl)-[2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 113432684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).