1-(4-fluoro-2,5-dihydroxyphenyl)cyclopropane-1-carboxylic acid

C10H9FO4 — CID 117302547

IUPAC1-(4-fluoro-2,5-dihydroxyphenyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2cc(O)c(F)cc2O)CC1
InChIInChI=1S/C10H9FO4/c11-6-4-7(12)5(3-8(6)13)10(1-2-10)9(14)15/h3-4,12-13H,1-2H2,(H,14,15)
InChIKeyCBSGWLKHXZQORY-UHFFFAOYSA-N
MW212.18 g/mol
LogP1.35
Rot. Bonds2

About 1-(4-fluoro-2,5-dihydroxyphenyl)cyclopropane-1-carboxylic acid

1-(4-fluoro-2,5-dihydroxyphenyl)cyclopropane-1-carboxylic acid (PubChem CID 117302547) has the molecular formula C10H9FO4 and a molecular weight of 212.18 g/mol. Its IUPAC name is 1-(4-fluoro-2,5-dihydroxyphenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(4-fluoro-2,5-dihydroxyphenyl)cyclopropane-1-carboxylic acid
PubChem CID117302547
Molecular FormulaC10H9FO4
Molecular Weight212.18 g/mol
Exact Mass212.05
IUPAC Name1-(4-fluoro-2,5-dihydroxyphenyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2cc(O)c(F)cc2O)CC1
InChIInChI=1S/C10H9FO4/c11-6-4-7(12)5(3-8(6)13)10(1-2-10)9(14)15/h3-4,12-13H,1-2H2,(H,14,15)
InChIKeyCBSGWLKHXZQORY-UHFFFAOYSA-N
XLogP1.35
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.18
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluoro-2,5-dihydroxyphenyl)cyclohexane-1-carboxylic acid
CID 117388630
1-(2,4-difluoro-5-hydroxyphenyl)cyclopropane-1-carboxylic acid
CID 117304967
1-(5-chloro-2-fluoro-4-hydroxyphenyl)cyclopropane-1-carboxylic acid
CID 84794005
1-(5-fluoro-4-hydroxy-2-methylphenyl)cyclopentane-1-carboxylic acid
CID 84799147
5-(1-carboxycyclopropyl)-2,4-dihydroxybenzoic acid
CID 117348410
1-(2-fluoro-4-hydroxy-5-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 117324881
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-(2,5-dihydroxy-4-methylphenyl)cyclohexane-1-carboxylic acid
CID 117378800
1-(2-hydroxy-5-methylsulfanylphenyl)cyclopropane-1-carboxylic acid
CID 117322078
1-[5-(difluoromethyl)-2-hydroxyphenyl]cyclopropane-1-carboxylic acid
CID 117328253
1-(6-fluoro-2,3-dihydro-1H-inden-5-yl)cyclopropane-1-carboxylic acid
CID 117314000

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2,5-dihydroxyphenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(4-fluoro-2,5-dihydroxyphenyl)cyclopropane-1-carboxylic acid (CID 117302547) is 1-(4-fluoro-2,5-dihydroxyphenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(4-fluoro-2,5-dihydroxyphenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(4-fluoro-2,5-dihydroxyphenyl)cyclopropane-1-carboxylic acid is O=C(O)C1(c2cc(O)c(F)cc2O)CC1.
What is the InChIKey of 1-(4-fluoro-2,5-dihydroxyphenyl)cyclopropane-1-carboxylic acid?
The InChIKey is CBSGWLKHXZQORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO4/c11-6-4-7(12)5(3-8(6)13)10(1-2-10)9(14)15/h3-4,12-13H,1-2H2,(H,14,15).
What are the key properties of 1-(4-fluoro-2,5-dihydroxyphenyl)cyclopropane-1-carboxylic acid?
1-(4-fluoro-2,5-dihydroxyphenyl)cyclopropane-1-carboxylic acid has a molecular weight of 212.18 g/mol, XLogP of 1.35, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2,5-dihydroxyphenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 117302547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).