1-[4-(4-bromo-3-fluorophenyl)-3-fluorophenyl]cyclopropane-1-carboxylic acid

C16H11BrF2O2 — CID 11501240

IUPAC1-[4-(4-bromo-3-fluorophenyl)-3-fluorophenyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc(-c3ccc(Br)c(F)c3)c(F)c2)CC1
InChIInChI=1S/C16H11BrF2O2/c17-12-4-1-9(7-14(12)19)11-3-2-10(8-13(11)18)16(5-6-16)15(20)21/h1-4,7-8H,5-6H2,(H,20,21)
InChIKeyQUIIVRHQHUZGIH-UHFFFAOYSA-N
MW353.16 g/mol
LogP4.51
Rot. Bonds3

About 1-[4-(4-bromo-3-fluorophenyl)-3-fluorophenyl]cyclopropane-1-carboxylic acid

1-[4-(4-bromo-3-fluorophenyl)-3-fluorophenyl]cyclopropane-1-carboxylic acid (PubChem CID 11501240) has the molecular formula C16H11BrF2O2 and a molecular weight of 353.16 g/mol. Its IUPAC name is 1-[4-(4-bromo-3-fluorophenyl)-3-fluorophenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[4-(4-bromo-3-fluorophenyl)-3-fluorophenyl]cyclopropane-1-carboxylic acid
PubChem CID11501240
Molecular FormulaC16H11BrF2O2
Molecular Weight353.16 g/mol
Exact Mass351.99
IUPAC Name1-[4-(4-bromo-3-fluorophenyl)-3-fluorophenyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc(-c3ccc(Br)c(F)c3)c(F)c2)CC1
InChIInChI=1S/C16H11BrF2O2/c17-12-4-1-9(7-14(12)19)11-3-2-10(8-13(11)18)16(5-6-16)15(20)21/h1-4,7-8H,5-6H2,(H,20,21)
InChIKeyQUIIVRHQHUZGIH-UHFFFAOYSA-N
XLogP4.51
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.16
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-[4-(4-bromo-3-fluorophenyl)-3-fluorophenyl]cyclopropane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-bromo-3-fluorophenyl)-3-fluorophenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[4-(4-bromo-3-fluorophenyl)-3-fluorophenyl]cyclopropane-1-carboxylic acid (CID 11501240) is 1-[4-(4-bromo-3-fluorophenyl)-3-fluorophenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[4-(4-bromo-3-fluorophenyl)-3-fluorophenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[4-(4-bromo-3-fluorophenyl)-3-fluorophenyl]cyclopropane-1-carboxylic acid is O=C(O)C1(c2ccc(-c3ccc(Br)c(F)c3)c(F)c2)CC1.
What is the InChIKey of 1-[4-(4-bromo-3-fluorophenyl)-3-fluorophenyl]cyclopropane-1-carboxylic acid?
The InChIKey is QUIIVRHQHUZGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrF2O2/c17-12-4-1-9(7-14(12)19)11-3-2-10(8-13(11)18)16(5-6-16)15(20)21/h1-4,7-8H,5-6H2,(H,20,21).
What are the key properties of 1-[4-(4-bromo-3-fluorophenyl)-3-fluorophenyl]cyclopropane-1-carboxylic acid?
1-[4-(4-bromo-3-fluorophenyl)-3-fluorophenyl]cyclopropane-1-carboxylic acid has a molecular weight of 353.16 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-bromo-3-fluorophenyl)-3-fluorophenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 11501240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).