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

C15H17F3O2 — CID 116747862

IUPAC(1-ethoxycyclopentyl)-[2-(trifluoromethyl)phenyl]methanone
SMILESCCOC1(C(=O)c2ccccc2C(F)(F)F)CCCC1
InChIInChI=1S/C15H17F3O2/c1-2-20-14(9-5-6-10-14)13(19)11-7-3-4-8-12(11)15(16,17)18/h3-4,7-8H,2,5-6,9-10H2,1H3
InChIKeyVUDBSFWONZXNBN-UHFFFAOYSA-N
MW286.29 g/mol
LogP4.24
Rot. Bonds4

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

(1-ethoxycyclopentyl)-[2-(trifluoromethyl)phenyl]methanone (PubChem CID 116747862) has the molecular formula C15H17F3O2 and a molecular weight of 286.29 g/mol. Its IUPAC name is (1-ethoxycyclopentyl)-[2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(1-ethoxycyclopentyl)-[2-(trifluoromethyl)phenyl]methanone
PubChem CID116747862
Molecular FormulaC15H17F3O2
Molecular Weight286.29 g/mol
Exact Mass286.12
IUPAC Name(1-ethoxycyclopentyl)-[2-(trifluoromethyl)phenyl]methanone
SMILESCCOC1(C(=O)c2ccccc2C(F)(F)F)CCCC1
InChIInChI=1S/C15H17F3O2/c1-2-20-14(9-5-6-10-14)13(19)11-7-3-4-8-12(11)15(16,17)18/h3-4,7-8H,2,5-6,9-10H2,1H3
InChIKeyVUDBSFWONZXNBN-UHFFFAOYSA-N
XLogP4.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1-methoxycyclopentyl)-[2-(trifluoromethyl)phenyl]methanone
CID 113432684
[1-(dimethylamino)cyclohexyl]-[2-(trifluoromethyl)phenyl]methanone
CID 79062257
(1-ethoxycyclopentyl)-(5-methylthiophen-2-yl)methanone
CID 116747750
(1-ethoxycyclopentyl)-isoquinolin-4-ylmethanone
CID 116747833
2-(1-aminocyclopentyl)-1-[2-(trifluoromethyl)phenyl]ethanone
CID 116578791
(1-ethoxycyclohexyl)-(4-fluorophenyl)methanone
CID 116748423
(1-ethoxycycloheptyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 103395364
(1-ethoxycyclopentyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 116747941
(2,6-dimethoxyphenyl)-(1-ethoxycyclohexyl)methanone
CID 116810109
ethyl (Z)-2-methyl-3-[2-(trifluoromethyl)phenyl]but-2-enoate
CID 113420082
(E)-2-ethoxy-3-[1-[2-(trifluoromethyl)phenyl]cyclobutyl]prop-2-enoic acid
CID 59680952
(2,5-dimethoxyphenyl)-(1-ethoxycyclohexyl)methanone
CID 116748454

Frequently Asked Questions

What is the IUPAC name of (1-ethoxycyclopentyl)-[2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (1-ethoxycyclopentyl)-[2-(trifluoromethyl)phenyl]methanone (CID 116747862) is (1-ethoxycyclopentyl)-[2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (1-ethoxycyclopentyl)-[2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (1-ethoxycyclopentyl)-[2-(trifluoromethyl)phenyl]methanone is CCOC1(C(=O)c2ccccc2C(F)(F)F)CCCC1.
What is the InChIKey of (1-ethoxycyclopentyl)-[2-(trifluoromethyl)phenyl]methanone?
The InChIKey is VUDBSFWONZXNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3O2/c1-2-20-14(9-5-6-10-14)13(19)11-7-3-4-8-12(11)15(16,17)18/h3-4,7-8H,2,5-6,9-10H2,1H3.
What are the key properties of (1-ethoxycyclopentyl)-[2-(trifluoromethyl)phenyl]methanone?
(1-ethoxycyclopentyl)-[2-(trifluoromethyl)phenyl]methanone has a molecular weight of 286.29 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxycyclopentyl)-[2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 116747862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).