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

C12H13FO3 — CID 117321555

IUPAC1-[2-fluoro-5-(methoxymethyl)phenyl]cyclopropane-1-carboxylic acid
SMILESCOCc1ccc(F)c(C2(C(=O)O)CC2)c1
InChIInChI=1S/C12H13FO3/c1-16-7-8-2-3-10(13)9(6-8)12(4-5-12)11(14)15/h2-3,6H,4-5,7H2,1H3,(H,14,15)
InChIKeyDVNSFHXGRWFZMQ-UHFFFAOYSA-N
MW224.23 g/mol
LogP2.09
Rot. Bonds4

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

1-[2-fluoro-5-(methoxymethyl)phenyl]cyclopropane-1-carboxylic acid (PubChem CID 117321555) has the molecular formula C12H13FO3 and a molecular weight of 224.23 g/mol. Its IUPAC name is 1-[2-fluoro-5-(methoxymethyl)phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-fluoro-5-(methoxymethyl)phenyl]cyclopropane-1-carboxylic acid
PubChem CID117321555
Molecular FormulaC12H13FO3
Molecular Weight224.23 g/mol
Exact Mass224.08
IUPAC Name1-[2-fluoro-5-(methoxymethyl)phenyl]cyclopropane-1-carboxylic acid
SMILESCOCc1ccc(F)c(C2(C(=O)O)CC2)c1
InChIInChI=1S/C12H13FO3/c1-16-7-8-2-3-10(13)9(6-8)12(4-5-12)11(14)15/h2-3,6H,4-5,7H2,1H3,(H,14,15)
InChIKeyDVNSFHXGRWFZMQ-UHFFFAOYSA-N
XLogP2.09
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-fluoro-5-(methoxymethyl)phenyl]cyclopentane-1-carboxylic acid
CID 117383760
1-[2-fluoro-5-(methoxymethyl)phenyl]cyclohexane-1-carboxylic acid
CID 117419802
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]cyclopropane-1-carboxylic acid
CID 117438016
1-(5-ethyl-2,4-difluorophenyl)cyclopropane-1-carboxylic acid
CID 117324946
1-(2,5-diethylphenyl)cyclopropane-1-carboxylic acid
CID 117311145
1-(2-fluoro-4-hydroxy-5-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 117324881
1-[5-chloro-2-fluoro-3-(methoxymethyl)phenyl]cyclobutane-1-carboxylic acid
CID 117434426
1-[2,6-difluoro-3-(methoxymethyl)phenyl]cyclobutane-1-carboxylic acid
CID 117393638
1-(4-fluoro-2,3-dimethoxyphenyl)cyclobutane-1-carboxylic acid
CID 117388602
methyl 1-(5-chloro-2-fluorophenyl)cyclopropane-1-carboxylate
CID 116964008

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-5-(methoxymethyl)phenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[2-fluoro-5-(methoxymethyl)phenyl]cyclopropane-1-carboxylic acid (CID 117321555) is 1-[2-fluoro-5-(methoxymethyl)phenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[2-fluoro-5-(methoxymethyl)phenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[2-fluoro-5-(methoxymethyl)phenyl]cyclopropane-1-carboxylic acid is COCc1ccc(F)c(C2(C(=O)O)CC2)c1.
What is the InChIKey of 1-[2-fluoro-5-(methoxymethyl)phenyl]cyclopropane-1-carboxylic acid?
The InChIKey is DVNSFHXGRWFZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO3/c1-16-7-8-2-3-10(13)9(6-8)12(4-5-12)11(14)15/h2-3,6H,4-5,7H2,1H3,(H,14,15).
What are the key properties of 1-[2-fluoro-5-(methoxymethyl)phenyl]cyclopropane-1-carboxylic acid?
1-[2-fluoro-5-(methoxymethyl)phenyl]cyclopropane-1-carboxylic acid has a molecular weight of 224.23 g/mol, XLogP of 2.09, 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]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 117321555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).