1-(3,5-difluoro-2-methoxyphenyl)cyclopentane-1-carboxylic acid

C13H14F2O3 — CID 117393688

IUPAC1-(3,5-difluoro-2-methoxyphenyl)cyclopentane-1-carboxylic acid
SMILESCOc1c(F)cc(F)cc1C1(C(=O)O)CCCC1
InChIInChI=1S/C13H14F2O3/c1-18-11-9(6-8(14)7-10(11)15)13(12(16)17)4-2-3-5-13/h6-7H,2-5H2,1H3,(H,16,17)
InChIKeyRMHVMXUCPVKENG-UHFFFAOYSA-N
MW256.25 g/mol
LogP2.87
Rot. Bonds3

About 1-(3,5-difluoro-2-methoxyphenyl)cyclopentane-1-carboxylic acid

1-(3,5-difluoro-2-methoxyphenyl)cyclopentane-1-carboxylic acid (PubChem CID 117393688) has the molecular formula C13H14F2O3 and a molecular weight of 256.25 g/mol. Its IUPAC name is 1-(3,5-difluoro-2-methoxyphenyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3,5-difluoro-2-methoxyphenyl)cyclopentane-1-carboxylic acid
PubChem CID117393688
Molecular FormulaC13H14F2O3
Molecular Weight256.25 g/mol
Exact Mass256.09
IUPAC Name1-(3,5-difluoro-2-methoxyphenyl)cyclopentane-1-carboxylic acid
SMILESCOc1c(F)cc(F)cc1C1(C(=O)O)CCCC1
InChIInChI=1S/C13H14F2O3/c1-18-11-9(6-8(14)7-10(11)15)13(12(16)17)4-2-3-5-13/h6-7H,2-5H2,1H3,(H,16,17)
InChIKeyRMHVMXUCPVKENG-UHFFFAOYSA-N
XLogP2.87
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.25
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-fluoro-2-methoxy-3-methylphenyl)cyclohexane-1-carboxylic acid
CID 117419827
1-(5-fluoro-2-methoxy-3-methylsulfanylphenyl)cyclohexane-1-carboxylic acid
CID 117480935
1-[3-(difluoromethyl)-5-fluoro-2-methoxyphenyl]cyclohexane-1-carboxylic acid
CID 117486934
1-(3-fluoro-2-methoxy-5-nitrophenyl)cyclopentane-1-carboxylic acid
CID 117455172
1-(5-fluoro-3,4-dimethoxy-2-methylphenyl)cyclopentane-1-carboxylic acid
CID 117453646
1-[5-(difluoromethyl)-3-fluoro-2-methoxyphenyl]cyclobutane-1-carboxylic acid
CID 117437881
1-(5-fluoro-2,3-dimethoxyphenyl)cyclopropane-1-carboxylic acid
CID 117352658
1-(3-fluoro-2-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 117490420
1-(2,3,5-trifluorophenyl)cyclobutane-1-carboxylic acid
CID 117114337
1-(4-fluoro-2,3-dimethoxyphenyl)cyclobutane-1-carboxylic acid
CID 117388602
1-(3,4-difluoro-2-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 117428788
1-(3-chloro-2,5-difluoro-6-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117469702

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluoro-2-methoxyphenyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(3,5-difluoro-2-methoxyphenyl)cyclopentane-1-carboxylic acid (CID 117393688) is 1-(3,5-difluoro-2-methoxyphenyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(3,5-difluoro-2-methoxyphenyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(3,5-difluoro-2-methoxyphenyl)cyclopentane-1-carboxylic acid is COc1c(F)cc(F)cc1C1(C(=O)O)CCCC1.
What is the InChIKey of 1-(3,5-difluoro-2-methoxyphenyl)cyclopentane-1-carboxylic acid?
The InChIKey is RMHVMXUCPVKENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2O3/c1-18-11-9(6-8(14)7-10(11)15)13(12(16)17)4-2-3-5-13/h6-7H,2-5H2,1H3,(H,16,17).
What are the key properties of 1-(3,5-difluoro-2-methoxyphenyl)cyclopentane-1-carboxylic acid?
1-(3,5-difluoro-2-methoxyphenyl)cyclopentane-1-carboxylic acid has a molecular weight of 256.25 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluoro-2-methoxyphenyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 117393688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).