1-[4-methoxy-2-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid

C14H15F3O3 — CID 117465530

IUPAC1-[4-methoxy-2-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid
SMILESCOc1ccc(C2(C(=O)O)CCCC2)c(C(F)(F)F)c1
InChIInChI=1S/C14H15F3O3/c1-20-9-4-5-10(11(8-9)14(15,16)17)13(12(18)19)6-2-3-7-13/h4-5,8H,2-3,6-7H2,1H3,(H,18,19)
InChIKeyQMZGIMVMYPTQMS-UHFFFAOYSA-N
MW288.26 g/mol
LogP3.61
Rot. Bonds3

About 1-[4-methoxy-2-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid

1-[4-methoxy-2-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid (PubChem CID 117465530) has the molecular formula C14H15F3O3 and a molecular weight of 288.26 g/mol. Its IUPAC name is 1-[4-methoxy-2-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[4-methoxy-2-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid
PubChem CID117465530
Molecular FormulaC14H15F3O3
Molecular Weight288.26 g/mol
Exact Mass288.10
IUPAC Name1-[4-methoxy-2-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid
SMILESCOc1ccc(C2(C(=O)O)CCCC2)c(C(F)(F)F)c1
InChIInChI=1S/C14H15F3O3/c1-20-9-4-5-10(11(8-9)14(15,16)17)13(12(18)19)6-2-3-7-13/h4-5,8H,2-3,6-7H2,1H3,(H,18,19)
InChIKeyQMZGIMVMYPTQMS-UHFFFAOYSA-N
XLogP3.61
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid
CID 83412138
1-[2-(difluoromethyl)-5-methoxyphenyl]cyclopentane-1-carboxylic acid
CID 117428766
1-[4-fluoro-2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid
CID 117112349
1-[2,4-bis(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid
CID 138110947
1-(5-methoxy-1-benzofuran-3-yl)cyclopentane-1-carboxylic acid
CID 82665804
1-(4-fluoro-2,3-dimethoxyphenyl)cyclobutane-1-carboxylic acid
CID 117388602
1-(2-formyl-4-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 117313804
1-[2-(difluoromethyl)-5-methoxyphenyl]cyclopropane-1-carboxylic acid
CID 117357088
1-(2,6-difluoro-4-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117393686
1-(3,4-difluoro-2-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 117428788
1-(5-fluoro-3,4-dimethoxy-2-methylphenyl)cyclopentane-1-carboxylic acid
CID 117453646
1-[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]cyclobutane-1-carboxylic acid
CID 117477560

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-2-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[4-methoxy-2-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid (CID 117465530) is 1-[4-methoxy-2-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[4-methoxy-2-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[4-methoxy-2-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid is COc1ccc(C2(C(=O)O)CCCC2)c(C(F)(F)F)c1.
What is the InChIKey of 1-[4-methoxy-2-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid?
The InChIKey is QMZGIMVMYPTQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3O3/c1-20-9-4-5-10(11(8-9)14(15,16)17)13(12(18)19)6-2-3-7-13/h4-5,8H,2-3,6-7H2,1H3,(H,18,19).
What are the key properties of 1-[4-methoxy-2-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid?
1-[4-methoxy-2-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid has a molecular weight of 288.26 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-2-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 117465530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).