2-(3-chloro-4-fluorophenyl)-2-methylcyclopropane-1-carboxylic acid

C11H10ClFO2 — CID 62388315

IUPAC2-(3-chloro-4-fluorophenyl)-2-methylcyclopropane-1-carboxylic acid
SMILESCC1(c2ccc(F)c(Cl)c2)CC1C(=O)O
InChIInChI=1S/C11H10ClFO2/c1-11(5-7(11)10(14)15)6-2-3-9(13)8(12)4-6/h2-4,7H,5H2,1H3,(H,14,15)
InChIKeyNRJVBGGAWVRXGA-UHFFFAOYSA-N
MW228.65 g/mol
LogP2.84
Rot. Bonds2

About 2-(3-chloro-4-fluorophenyl)-2-methylcyclopropane-1-carboxylic acid

2-(3-chloro-4-fluorophenyl)-2-methylcyclopropane-1-carboxylic acid (PubChem CID 62388315) has the molecular formula C11H10ClFO2 and a molecular weight of 228.65 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-2-methylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-2-methylcyclopropane-1-carboxylic acid
PubChem CID62388315
Molecular FormulaC11H10ClFO2
Molecular Weight228.65 g/mol
Exact Mass228.04
IUPAC Name2-(3-chloro-4-fluorophenyl)-2-methylcyclopropane-1-carboxylic acid
SMILESCC1(c2ccc(F)c(Cl)c2)CC1C(=O)O
InChIInChI=1S/C11H10ClFO2/c1-11(5-7(11)10(14)15)6-2-3-9(13)8(12)4-6/h2-4,7H,5H2,1H3,(H,14,15)
InChIKeyNRJVBGGAWVRXGA-UHFFFAOYSA-N
XLogP2.84
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.65
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cis-(1R,2S)-2-(2,5-difluorophenyl)-2-methylcyclopropane-1-carboxylic acid
CID 94256560
cis-(1S,2R)-2-methyl-2-phenylcyclopropane-1-carboxylic acid
CID 94252590
cis-(1R,2S)-2-methyl-2-phenylcyclopropane-1-carboxylic acid
CID 94252591
2-(2,6-dichlorophenyl)-2-methylcyclopropane-1-carboxylic acid
CID 130900676
2-methyl-2-(3-methylphenyl)cyclopropane-1-carboxylic acid
CID 62389548
2,2-bis(3,4-dichlorophenyl)cyclopropane-1-carboxylic acid
CID 174934692
2-(6-methoxynaphthalen-2-yl)-2-methylcyclopropane-1-carboxylic acid
CID 62387826
1-[2-(3-chloro-4-fluorophenyl)-2-methylcyclopropyl]-N-methylmethanamine
CID 62704012
2-[1-(3-chloro-4-fluorophenyl)cyclopropyl]acetic acid
CID 82391155
methyl 1-(3-chloro-4-fluorophenyl)cyclobutane-1-carboxylate
CID 116963906
2-(5-fluoro-2-methoxyphenyl)-2-methylcyclopropane-1-carboxylic acid
CID 82114871
(1S)-2,2-bis(4-fluorophenyl)cyclopropane-1-carboxylic acid
CID 129382428

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-2-methylcyclopropane-1-carboxylic acid?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-2-methylcyclopropane-1-carboxylic acid (CID 62388315) is 2-(3-chloro-4-fluorophenyl)-2-methylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-2-methylcyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-2-methylcyclopropane-1-carboxylic acid is CC1(c2ccc(F)c(Cl)c2)CC1C(=O)O.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-2-methylcyclopropane-1-carboxylic acid?
The InChIKey is NRJVBGGAWVRXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFO2/c1-11(5-7(11)10(14)15)6-2-3-9(13)8(12)4-6/h2-4,7H,5H2,1H3,(H,14,15).
What are the key properties of 2-(3-chloro-4-fluorophenyl)-2-methylcyclopropane-1-carboxylic acid?
2-(3-chloro-4-fluorophenyl)-2-methylcyclopropane-1-carboxylic acid has a molecular weight of 228.65 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-2-methylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 62388315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).