2-[1-[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]cyclopropyl]acetic acid

C13H14ClFO3 — CID 117434415

IUPAC2-[1-[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]cyclopropyl]acetic acid
SMILESCOCc1c(F)cc(C2(CC(=O)O)CC2)cc1Cl
InChIInChI=1S/C13H14ClFO3/c1-18-7-9-10(14)4-8(5-11(9)15)13(2-3-13)6-12(16)17/h4-5H,2-3,6-7H2,1H3,(H,16,17)
InChIKeyWHWIRXRPPGSXLW-UHFFFAOYSA-N
MW272.70 g/mol
LogP3.13
Rot. Bonds5

About 2-[1-[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]cyclopropyl]acetic acid

2-[1-[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]cyclopropyl]acetic acid (PubChem CID 117434415) has the molecular formula C13H14ClFO3 and a molecular weight of 272.70 g/mol. Its IUPAC name is 2-[1-[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]cyclopropyl]acetic acid
PubChem CID117434415
Molecular FormulaC13H14ClFO3
Molecular Weight272.70 g/mol
Exact Mass272.06
IUPAC Name2-[1-[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]cyclopropyl]acetic acid
SMILESCOCc1c(F)cc(C2(CC(=O)O)CC2)cc1Cl
InChIInChI=1S/C13H14ClFO3/c1-18-7-9-10(14)4-8(5-11(9)15)13(2-3-13)6-12(16)17/h4-5H,2-3,6-7H2,1H3,(H,16,17)
InChIKeyWHWIRXRPPGSXLW-UHFFFAOYSA-N
XLogP3.13
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.70
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[3-chloro-4-(methoxymethyl)phenyl]cyclopropyl]acetic acid
CID 117389821
2-[1-(3-chloro-4-fluorophenyl)cyclopropyl]acetic acid
CID 82391155
2-[1-(3-bromo-5-fluoro-4-methoxyphenyl)cyclopropyl]acetic acid
CID 117487851
2-[1-(3-cyano-5-fluoro-4-methoxyphenyl)cyclopropyl]acetic acid
CID 117375408
2-[1-[4-(methoxymethyl)phenyl]cyclopropyl]acetic acid
CID 84787396
3-amino-3-[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]propanoic acid
CID 117408979
5-[1-(carboxymethyl)cyclopropyl]-2,3-difluorobenzoic acid
CID 117393385
2-[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]-2-hydroxyacetic acid
CID 117374799
2-[1-[5-fluoro-4-methoxy-2-(methoxymethyl)phenyl]cyclopropyl]acetic acid
CID 117424192
2-[1-(5-chloro-3-fluoro-2,4-dimethoxyphenyl)cyclopropyl]acetic acid
CID 117466386
2-[1-(3-fluoro-4-methoxyphenyl)cyclopentyl]acetic acid
CID 82087894
[1-[3,5-difluoro-4-(methoxymethyl)phenyl]cyclopentyl]methanamine
CID 117391287

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]cyclopropyl]acetic acid (CID 117434415) is 2-[1-[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]cyclopropyl]acetic acid is COCc1c(F)cc(C2(CC(=O)O)CC2)cc1Cl.
What is the InChIKey of 2-[1-[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]cyclopropyl]acetic acid?
The InChIKey is WHWIRXRPPGSXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFO3/c1-18-7-9-10(14)4-8(5-11(9)15)13(2-3-13)6-12(16)17/h4-5H,2-3,6-7H2,1H3,(H,16,17).
What are the key properties of 2-[1-[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]cyclopropyl]acetic acid?
2-[1-[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]cyclopropyl]acetic acid has a molecular weight of 272.70 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]cyclopropyl]acetic acid is sourced from PubChem (CID 117434415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).