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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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).