1-[2-fluoro-5-(methoxymethyl)phenyl]cyclopentane-1-carboxylic acid

C14H17FO3 — CID 117383760

IUPAC1-[2-fluoro-5-(methoxymethyl)phenyl]cyclopentane-1-carboxylic acid
SMILESCOCc1ccc(F)c(C2(C(=O)O)CCCC2)c1
InChIInChI=1S/C14H17FO3/c1-18-9-10-4-5-12(15)11(8-10)14(13(16)17)6-2-3-7-14/h4-5,8H,2-3,6-7,9H2,1H3,(H,16,17)
InChIKeyJVIJCBLOQKOWBV-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.87
Rot. Bonds4

About 1-[2-fluoro-5-(methoxymethyl)phenyl]cyclopentane-1-carboxylic acid

1-[2-fluoro-5-(methoxymethyl)phenyl]cyclopentane-1-carboxylic acid (PubChem CID 117383760) has the molecular formula C14H17FO3 and a molecular weight of 252.28 g/mol. Its IUPAC name is 1-[2-fluoro-5-(methoxymethyl)phenyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-fluoro-5-(methoxymethyl)phenyl]cyclopentane-1-carboxylic acid
PubChem CID117383760
Molecular FormulaC14H17FO3
Molecular Weight252.28 g/mol
Exact Mass252.12
IUPAC Name1-[2-fluoro-5-(methoxymethyl)phenyl]cyclopentane-1-carboxylic acid
SMILESCOCc1ccc(F)c(C2(C(=O)O)CCCC2)c1
InChIInChI=1S/C14H17FO3/c1-18-9-10-4-5-12(15)11(8-10)14(13(16)17)6-2-3-7-14/h4-5,8H,2-3,6-7,9H2,1H3,(H,16,17)
InChIKeyJVIJCBLOQKOWBV-UHFFFAOYSA-N
XLogP2.87
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-fluoro-5-(methoxymethyl)phenyl]cyclohexane-1-carboxylic acid
CID 117419802
1-[2-fluoro-5-(methoxymethyl)phenyl]cyclopropane-1-carboxylic acid
CID 117321555
1-[2-fluoro-5-(hydroxymethyl)phenyl]cyclopentane-1-carboxylic acid
CID 117348913
1-[2,5-difluoro-4-(methoxymethyl)phenyl]cyclopentane-1-carboxylic acid
CID 117428758
1-[2-fluoro-5-(4-fluorophenyl)phenyl]cyclopentane-1-carboxylic acid
CID 117486987
1-[2,6-difluoro-3-(methoxymethyl)phenyl]cyclobutane-1-carboxylic acid
CID 117393638
1-[5-chloro-2-fluoro-3-(methoxymethyl)phenyl]cyclobutane-1-carboxylic acid
CID 117434426
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-[2-methoxy-3-(methoxymethyl)phenyl]cyclopentane-1-carboxylic acid
CID 117415224
1-(2,5-difluoro-4-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 117357150
1-(3,5-difluoro-2-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117393688

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-5-(methoxymethyl)phenyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-fluoro-5-(methoxymethyl)phenyl]cyclopentane-1-carboxylic acid (CID 117383760) is 1-[2-fluoro-5-(methoxymethyl)phenyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-fluoro-5-(methoxymethyl)phenyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-fluoro-5-(methoxymethyl)phenyl]cyclopentane-1-carboxylic acid is COCc1ccc(F)c(C2(C(=O)O)CCCC2)c1.
What is the InChIKey of 1-[2-fluoro-5-(methoxymethyl)phenyl]cyclopentane-1-carboxylic acid?
The InChIKey is JVIJCBLOQKOWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO3/c1-18-9-10-4-5-12(15)11(8-10)14(13(16)17)6-2-3-7-14/h4-5,8H,2-3,6-7,9H2,1H3,(H,16,17).
What are the key properties of 1-[2-fluoro-5-(methoxymethyl)phenyl]cyclopentane-1-carboxylic acid?
1-[2-fluoro-5-(methoxymethyl)phenyl]cyclopentane-1-carboxylic acid has a molecular weight of 252.28 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-5-(methoxymethyl)phenyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 117383760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).