1-[2-(difluoromethyl)-5-methoxyphenyl]cyclopentane-1-carboxylic acid

C14H16F2O3 — CID 117428766

IUPAC1-[2-(difluoromethyl)-5-methoxyphenyl]cyclopentane-1-carboxylic acid
SMILESCOc1ccc(C(F)F)c(C2(C(=O)O)CCCC2)c1
InChIInChI=1S/C14H16F2O3/c1-19-9-4-5-10(12(15)16)11(8-9)14(13(17)18)6-2-3-7-14/h4-5,8,12H,2-3,6-7H2,1H3,(H,17,18)
InChIKeyBSBQVDZLZZPODA-UHFFFAOYSA-N
MW270.27 g/mol
LogP3.53
Rot. Bonds4

About 1-[2-(difluoromethyl)-5-methoxyphenyl]cyclopentane-1-carboxylic acid

1-[2-(difluoromethyl)-5-methoxyphenyl]cyclopentane-1-carboxylic acid (PubChem CID 117428766) has the molecular formula C14H16F2O3 and a molecular weight of 270.27 g/mol. Its IUPAC name is 1-[2-(difluoromethyl)-5-methoxyphenyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(difluoromethyl)-5-methoxyphenyl]cyclopentane-1-carboxylic acid
PubChem CID117428766
Molecular FormulaC14H16F2O3
Molecular Weight270.27 g/mol
Exact Mass270.11
IUPAC Name1-[2-(difluoromethyl)-5-methoxyphenyl]cyclopentane-1-carboxylic acid
SMILESCOc1ccc(C(F)F)c(C2(C(=O)O)CCCC2)c1
InChIInChI=1S/C14H16F2O3/c1-19-9-4-5-10(12(15)16)11(8-9)14(13(17)18)6-2-3-7-14/h4-5,8,12H,2-3,6-7H2,1H3,(H,17,18)
InChIKeyBSBQVDZLZZPODA-UHFFFAOYSA-N
XLogP3.53
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(difluoromethyl)-5-methoxyphenyl]cyclopropane-1-carboxylic acid
CID 117357088
1-[2-(difluoromethyl)-5-methoxyphenyl]cyclohexan-1-amine
CID 117391231
1-[4-methoxy-2-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid
CID 117465530
1-[3-(difluoromethyl)-5-fluoro-2-methoxyphenyl]cyclohexane-1-carboxylic acid
CID 117486934
1-[4-(difluoromethyl)-2,5-dimethoxyphenyl]cyclobutane-1-carboxylic acid
CID 117461580
1-(difluoromethyl)-2-(1-isocyanatocyclopentyl)-4-methoxybenzene
CID 117421277
1-[2-(difluoromethyl)-6-methoxyphenyl]cyclopentane-1-carboxylic acid
CID 117428762
1-(5-methoxy-1-benzofuran-3-yl)cyclopentane-1-carboxylic acid
CID 82665804
1-[2-(difluoromethyl)-3-methoxyphenyl]cyclohexane-1-carboxylic acid
CID 117457679
1-(3,5-dimethoxy-2-methylphenyl)cyclohexane-1-carboxylic acid
CID 117446109
1-(2-hydroxy-5-methoxy-3-methylphenyl)cyclohexane-1-carboxylic acid
CID 117415085
1-[2-(difluoromethyl)-3-methoxyphenyl]cyclobutane-1-carboxylic acid
CID 117393640

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethyl)-5-methoxyphenyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-(difluoromethyl)-5-methoxyphenyl]cyclopentane-1-carboxylic acid (CID 117428766) is 1-[2-(difluoromethyl)-5-methoxyphenyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(difluoromethyl)-5-methoxyphenyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-(difluoromethyl)-5-methoxyphenyl]cyclopentane-1-carboxylic acid is COc1ccc(C(F)F)c(C2(C(=O)O)CCCC2)c1.
What is the InChIKey of 1-[2-(difluoromethyl)-5-methoxyphenyl]cyclopentane-1-carboxylic acid?
The InChIKey is BSBQVDZLZZPODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2O3/c1-19-9-4-5-10(12(15)16)11(8-9)14(13(17)18)6-2-3-7-14/h4-5,8,12H,2-3,6-7H2,1H3,(H,17,18).
What are the key properties of 1-[2-(difluoromethyl)-5-methoxyphenyl]cyclopentane-1-carboxylic acid?
1-[2-(difluoromethyl)-5-methoxyphenyl]cyclopentane-1-carboxylic acid has a molecular weight of 270.27 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethyl)-5-methoxyphenyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 117428766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).