2-[1-(3-chloro-4-fluorophenyl)cyclopropyl]acetic acid

C11H10ClFO2 — CID 82391155

IUPAC2-[1-(3-chloro-4-fluorophenyl)cyclopropyl]acetic acid
SMILESO=C(O)CC1(c2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C11H10ClFO2/c12-8-5-7(1-2-9(8)13)11(3-4-11)6-10(14)15/h1-2,5H,3-4,6H2,(H,14,15)
InChIKeyAKZJJSCJUFJFFM-UHFFFAOYSA-N
MW228.65 g/mol
LogP2.99
Rot. Bonds3

About 2-[1-(3-chloro-4-fluorophenyl)cyclopropyl]acetic acid

2-[1-(3-chloro-4-fluorophenyl)cyclopropyl]acetic acid (PubChem CID 82391155) has the molecular formula C11H10ClFO2 and a molecular weight of 228.65 g/mol. Its IUPAC name is 2-[1-(3-chloro-4-fluorophenyl)cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-(3-chloro-4-fluorophenyl)cyclopropyl]acetic acid
PubChem CID82391155
Molecular FormulaC11H10ClFO2
Molecular Weight228.65 g/mol
Exact Mass228.04
IUPAC Name2-[1-(3-chloro-4-fluorophenyl)cyclopropyl]acetic acid
SMILESO=C(O)CC1(c2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C11H10ClFO2/c12-8-5-7(1-2-9(8)13)11(3-4-11)6-10(14)15/h1-2,5H,3-4,6H2,(H,14,15)
InChIKeyAKZJJSCJUFJFFM-UHFFFAOYSA-N
XLogP2.99
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.65
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chloro-4-fluorophenyl)cyclopropyl]acetic acid?
The IUPAC name of 2-[1-(3-chloro-4-fluorophenyl)cyclopropyl]acetic acid (CID 82391155) is 2-[1-(3-chloro-4-fluorophenyl)cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-(3-chloro-4-fluorophenyl)cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-(3-chloro-4-fluorophenyl)cyclopropyl]acetic acid is O=C(O)CC1(c2ccc(F)c(Cl)c2)CC1.
What is the InChIKey of 2-[1-(3-chloro-4-fluorophenyl)cyclopropyl]acetic acid?
The InChIKey is AKZJJSCJUFJFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFO2/c12-8-5-7(1-2-9(8)13)11(3-4-11)6-10(14)15/h1-2,5H,3-4,6H2,(H,14,15).
What are the key properties of 2-[1-(3-chloro-4-fluorophenyl)cyclopropyl]acetic acid?
2-[1-(3-chloro-4-fluorophenyl)cyclopropyl]acetic acid has a molecular weight of 228.65 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chloro-4-fluorophenyl)cyclopropyl]acetic acid is sourced from PubChem (CID 82391155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).