1-(1-methoxycyclopentyl)-2-[3-(trifluoromethyl)phenyl]ethanone

C15H17F3O2 — CID 104610106

IUPAC1-(1-methoxycyclopentyl)-2-[3-(trifluoromethyl)phenyl]ethanone
SMILESCOC1(C(=O)Cc2cccc(C(F)(F)F)c2)CCCC1
InChIInChI=1S/C15H17F3O2/c1-20-14(7-2-3-8-14)13(19)10-11-5-4-6-12(9-11)15(16,17)18/h4-6,9H,2-3,7-8,10H2,1H3
InChIKeyDZJDVRGHDZPFBI-UHFFFAOYSA-N
MW286.29 g/mol
LogP3.78
Rot. Bonds4

About 1-(1-methoxycyclopentyl)-2-[3-(trifluoromethyl)phenyl]ethanone

1-(1-methoxycyclopentyl)-2-[3-(trifluoromethyl)phenyl]ethanone (PubChem CID 104610106) has the molecular formula C15H17F3O2 and a molecular weight of 286.29 g/mol. Its IUPAC name is 1-(1-methoxycyclopentyl)-2-[3-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-(1-methoxycyclopentyl)-2-[3-(trifluoromethyl)phenyl]ethanone
PubChem CID104610106
Molecular FormulaC15H17F3O2
Molecular Weight286.29 g/mol
Exact Mass286.12
IUPAC Name1-(1-methoxycyclopentyl)-2-[3-(trifluoromethyl)phenyl]ethanone
SMILESCOC1(C(=O)Cc2cccc(C(F)(F)F)c2)CCCC1
InChIInChI=1S/C15H17F3O2/c1-20-14(7-2-3-8-14)13(19)10-11-5-4-6-12(9-11)15(16,17)18/h4-6,9H,2-3,7-8,10H2,1H3
InChIKeyDZJDVRGHDZPFBI-UHFFFAOYSA-N
XLogP3.78
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 ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(dimethylamino)cyclopentyl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 79057674
1-[1-(aminomethyl)cyclopentyl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 116600888
(1-methoxycycloheptyl)-[3-(trifluoromethyl)phenyl]methanone
CID 116750643
1-(1-aminocyclohexyl)-3-[3-(trifluoromethyl)phenyl]propan-2-one
CID 116578964
methyl 2-[3-(trifluoromethyl)phenyl]acetate;molecular nitrogen
CID 175534080
1-(3-propan-2-ylpyrrolidin-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 106982175
2-(4-chloro-3-fluorophenyl)-1-(1-methoxycycloheptyl)ethanone
CID 107884128
1-[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 23027904
2-(4-fluorophenyl)-1-(1-methoxycyclobutyl)ethanone
CID 116706780
3-methoxy-1-[3-(trifluoromethyl)phenyl]butan-2-one
CID 79617609
2-(3-fluoro-4-methoxyphenyl)-1-(1-methoxycyclobutyl)ethanone
CID 116706781
1-(1-ethoxycyclopentyl)-2-(3-fluorophenyl)ethanone
CID 116747889

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxycyclopentyl)-2-[3-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-(1-methoxycyclopentyl)-2-[3-(trifluoromethyl)phenyl]ethanone (CID 104610106) is 1-(1-methoxycyclopentyl)-2-[3-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-(1-methoxycyclopentyl)-2-[3-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-(1-methoxycyclopentyl)-2-[3-(trifluoromethyl)phenyl]ethanone is COC1(C(=O)Cc2cccc(C(F)(F)F)c2)CCCC1.
What is the InChIKey of 1-(1-methoxycyclopentyl)-2-[3-(trifluoromethyl)phenyl]ethanone?
The InChIKey is DZJDVRGHDZPFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3O2/c1-20-14(7-2-3-8-14)13(19)10-11-5-4-6-12(9-11)15(16,17)18/h4-6,9H,2-3,7-8,10H2,1H3.
What are the key properties of 1-(1-methoxycyclopentyl)-2-[3-(trifluoromethyl)phenyl]ethanone?
1-(1-methoxycyclopentyl)-2-[3-(trifluoromethyl)phenyl]ethanone has a molecular weight of 286.29 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxycyclopentyl)-2-[3-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 104610106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).