2-(2-chloro-6-fluorophenyl)cyclopropane-1-carboxylic acid

C10H8ClFO2 — CID 43810289

IUPAC2-(2-chloro-6-fluorophenyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1c1c(F)cccc1Cl
InChIInChI=1S/C10H8ClFO2/c11-7-2-1-3-8(12)9(7)5-4-6(5)10(13)14/h1-3,5-6H,4H2,(H,13,14)
InChIKeyNVHNBFOVILMVRL-UHFFFAOYSA-N
MW214.62 g/mol
LogP2.67
Rot. Bonds2

About 2-(2-chloro-6-fluorophenyl)cyclopropane-1-carboxylic acid

2-(2-chloro-6-fluorophenyl)cyclopropane-1-carboxylic acid (PubChem CID 43810289) has the molecular formula C10H8ClFO2 and a molecular weight of 214.62 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)cyclopropane-1-carboxylic acid
PubChem CID43810289
Molecular FormulaC10H8ClFO2
Molecular Weight214.62 g/mol
Exact Mass214.02
IUPAC Name2-(2-chloro-6-fluorophenyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1c1c(F)cccc1Cl
InChIInChI=1S/C10H8ClFO2/c11-7-2-1-3-8(12)9(7)5-4-6(5)10(13)14/h1-3,5-6H,4H2,(H,13,14)
InChIKeyNVHNBFOVILMVRL-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

trans-(1R,2R)-2-(2,6-difluorophenyl)cyclopropane-1-carboxylic acid
CID 93299333
2-(2-chloro-6-fluorophenyl)-N-[3-(methylamino)propyl]cyclopropane-1-carboxamide;hydrochloride
CID 119433671
trans-(1R,2R)-2-(2,6-dichlorophenyl)cyclopropane-1-carboxamide
CID 95860606
N-(3-amino-2,2-dimethylpropyl)-2-(2-chloro-6-fluorophenyl)-N-methylcyclopropane-1-carboxamide
CID 119656481
[(1R,2R)-2-(2-chloro-6-fluorophenyl)cyclopropyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 136584811
[2-(2-chloro-6-fluorophenyl)cyclopropyl]-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;hydrochloride
CID 119638871
2-(2-chloro-6-fluorophenyl)-N-piperidin-3-ylcyclopropane-1-carboxamide
CID 119428601
N-[1-(aminomethyl)cyclopentyl]-2-(2-chloro-6-fluorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119568012
(3aS,6aR)-2-[2-(2-chloro-6-fluorophenyl)cyclopropanecarbonyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120682664
2-(2,6-difluorophenyl)cyclopentane-1-carboxylic acid
CID 81008993
trans-(1S,2S)-2-(5-chloro-2-fluorophenyl)cyclopropane-1-carboxylic acid
CID 96658212
(4-amino-3,3-dimethylpiperidin-1-yl)-[2-(2-chloro-6-fluorophenyl)cyclopropyl]methanone;hydrochloride
CID 120814129

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)cyclopropane-1-carboxylic acid (CID 43810289) is 2-(2-chloro-6-fluorophenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)cyclopropane-1-carboxylic acid is O=C(O)C1CC1c1c(F)cccc1Cl.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)cyclopropane-1-carboxylic acid?
The InChIKey is NVHNBFOVILMVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFO2/c11-7-2-1-3-8(12)9(7)5-4-6(5)10(13)14/h1-3,5-6H,4H2,(H,13,14).
What are the key properties of 2-(2-chloro-6-fluorophenyl)cyclopropane-1-carboxylic acid?
2-(2-chloro-6-fluorophenyl)cyclopropane-1-carboxylic acid has a molecular weight of 214.62 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 43810289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).