1-chloro-2-(3-fluorophenyl)cyclopropane-1-carboxylic acid

C10H8ClFO2 — CID 152624369

IUPAC1-chloro-2-(3-fluorophenyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(Cl)CC1c1cccc(F)c1
InChIInChI=1S/C10H8ClFO2/c11-10(9(13)14)5-8(10)6-2-1-3-7(12)4-6/h1-4,8H,5H2,(H,13,14)
InChIKeyZCERTZMFTVQYAB-UHFFFAOYSA-N
MW214.62 g/mol
LogP2.38
Rot. Bonds2

About 1-chloro-2-(3-fluorophenyl)cyclopropane-1-carboxylic acid

1-chloro-2-(3-fluorophenyl)cyclopropane-1-carboxylic acid (PubChem CID 152624369) has the molecular formula C10H8ClFO2 and a molecular weight of 214.62 g/mol. Its IUPAC name is 1-chloro-2-(3-fluorophenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-chloro-2-(3-fluorophenyl)cyclopropane-1-carboxylic acid
PubChem CID152624369
Molecular FormulaC10H8ClFO2
Molecular Weight214.62 g/mol
Exact Mass214.02
IUPAC Name1-chloro-2-(3-fluorophenyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(Cl)CC1c1cccc(F)c1
InChIInChI=1S/C10H8ClFO2/c11-10(9(13)14)5-8(10)6-2-1-3-7(12)4-6/h1-4,8H,5H2,(H,13,14)
InChIKeyZCERTZMFTVQYAB-UHFFFAOYSA-N
XLogP2.38
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.62
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-amino-2-(3-fluorophenyl)cyclopropane-1-carboxylic acid
CID 53276276
3-(3-fluorophenyl)cyclobutane-1-carboxylic acid
CID 47002918
(2R,4R)-4-(3-fluorophenyl)pyrrolidine-2-carboxylic acid
CID 173047292
(2R,3R)-3-(3-fluorophenyl)oxirane-2-carboxylic acid
CID 95212331
1-[[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 129380118
4-(3-fluorophenyl)-2-oxooxolane-3-carboxylic acid
CID 119054767
2-(3-fluorophenyl)azetidine-3-carboxylic acid
CID 105448727
1-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]-2-phenylcyclopropane-1-carboxylic acid
CID 84562022
1-amino-2-(3-fluorobenzoyl)cyclopropane-1-carboxylic acid
CID 54496453
(1S,2R,3R)-1-amino-2-(3-fluorophenyl)-3-methylsulfonylcyclopropane-1-carboxylic acid
CID 124857705
(2R,3S)-3-(3-fluorophenyl)pyrrolidine-2-carboxylic acid
CID 97001038
3-(3-fluorophenyl)pyrrolidine;oxalic acid
CID 91623790

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(3-fluorophenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-chloro-2-(3-fluorophenyl)cyclopropane-1-carboxylic acid (CID 152624369) is 1-chloro-2-(3-fluorophenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-chloro-2-(3-fluorophenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-chloro-2-(3-fluorophenyl)cyclopropane-1-carboxylic acid is O=C(O)C1(Cl)CC1c1cccc(F)c1.
What is the InChIKey of 1-chloro-2-(3-fluorophenyl)cyclopropane-1-carboxylic acid?
The InChIKey is ZCERTZMFTVQYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFO2/c11-10(9(13)14)5-8(10)6-2-1-3-7(12)4-6/h1-4,8H,5H2,(H,13,14).
What are the key properties of 1-chloro-2-(3-fluorophenyl)cyclopropane-1-carboxylic acid?
1-chloro-2-(3-fluorophenyl)cyclopropane-1-carboxylic acid has a molecular weight of 214.62 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(3-fluorophenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 152624369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).