1-(2,4-difluoro-5-hydroxyphenyl)cyclopropane-1-carboxylic acid

C10H8F2O3 — CID 117304967

IUPAC1-(2,4-difluoro-5-hydroxyphenyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2cc(O)c(F)cc2F)CC1
InChIInChI=1S/C10H8F2O3/c11-6-4-7(12)8(13)3-5(6)10(1-2-10)9(14)15/h3-4,13H,1-2H2,(H,14,15)
InChIKeyOVDZIMRNPKOLFF-UHFFFAOYSA-N
MW214.17 g/mol
LogP1.79
Rot. Bonds2

About 1-(2,4-difluoro-5-hydroxyphenyl)cyclopropane-1-carboxylic acid

1-(2,4-difluoro-5-hydroxyphenyl)cyclopropane-1-carboxylic acid (PubChem CID 117304967) has the molecular formula C10H8F2O3 and a molecular weight of 214.17 g/mol. Its IUPAC name is 1-(2,4-difluoro-5-hydroxyphenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2,4-difluoro-5-hydroxyphenyl)cyclopropane-1-carboxylic acid
PubChem CID117304967
Molecular FormulaC10H8F2O3
Molecular Weight214.17 g/mol
Exact Mass214.04
IUPAC Name1-(2,4-difluoro-5-hydroxyphenyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2cc(O)c(F)cc2F)CC1
InChIInChI=1S/C10H8F2O3/c11-6-4-7(12)8(13)3-5(6)10(1-2-10)9(14)15/h3-4,13H,1-2H2,(H,14,15)
InChIKeyOVDZIMRNPKOLFF-UHFFFAOYSA-N
XLogP1.79
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.17
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluoro-2,5-dihydroxyphenyl)cyclopropane-1-carboxylic acid
CID 117302547
1-(4-fluoro-2,5-dihydroxyphenyl)cyclohexane-1-carboxylic acid
CID 117388630
1-(5-chloro-2-fluoro-4-hydroxyphenyl)cyclopropane-1-carboxylic acid
CID 84794005
1-(5-ethyl-2,4-difluorophenyl)cyclopropane-1-carboxylic acid
CID 117324946
1-(2-fluoro-4-hydroxy-5-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 117324881
1-(6-fluoro-2,3-dihydro-1H-inden-5-yl)cyclopropane-1-carboxylic acid
CID 117314000
1-(5-fluoro-4-hydroxy-2-methylphenyl)cyclopentane-1-carboxylic acid
CID 84799147
1-(3,4,5-trifluoro-2-hydroxyphenyl)cyclopropane-1-carboxylic acid
CID 84795239
1-(2-bromo-4,5-difluorophenyl)cyclopropane-1-carboxylic acid
CID 117443504
1-(4-chloro-2,5-difluorophenyl)cyclohexane-1-carboxylic acid
CID 117439170
1-[2-fluoro-5-(4-fluorophenyl)phenyl]cyclopropane-1-carboxylic acid
CID 117438016
1-(4-chloro-2,3,5-trifluorophenyl)cyclopropane-1-carboxylic acid
CID 117112356

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluoro-5-hydroxyphenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(2,4-difluoro-5-hydroxyphenyl)cyclopropane-1-carboxylic acid (CID 117304967) is 1-(2,4-difluoro-5-hydroxyphenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(2,4-difluoro-5-hydroxyphenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(2,4-difluoro-5-hydroxyphenyl)cyclopropane-1-carboxylic acid is O=C(O)C1(c2cc(O)c(F)cc2F)CC1.
What is the InChIKey of 1-(2,4-difluoro-5-hydroxyphenyl)cyclopropane-1-carboxylic acid?
The InChIKey is OVDZIMRNPKOLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2O3/c11-6-4-7(12)8(13)3-5(6)10(1-2-10)9(14)15/h3-4,13H,1-2H2,(H,14,15).
What are the key properties of 1-(2,4-difluoro-5-hydroxyphenyl)cyclopropane-1-carboxylic acid?
1-(2,4-difluoro-5-hydroxyphenyl)cyclopropane-1-carboxylic acid has a molecular weight of 214.17 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluoro-5-hydroxyphenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 117304967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).