1-(2-chloroethyl)-3-fluoro-2-(2-fluorophenyl)benzene

C14H11ClF2 — CID 54444470

IUPAC1-(2-chloroethyl)-3-fluoro-2-(2-fluorophenyl)benzene
SMILESFc1ccccc1-c1c(F)cccc1CCCl
InChIInChI=1S/C14H11ClF2/c15-9-8-10-4-3-7-13(17)14(10)11-5-1-2-6-12(11)16/h1-7H,8-9H2
InChIKeyXXYUQDUFRKEVNQ-UHFFFAOYSA-N
MW252.69 g/mol
LogP4.41
Rot. Bonds3

About 1-(2-chloroethyl)-3-fluoro-2-(2-fluorophenyl)benzene

1-(2-chloroethyl)-3-fluoro-2-(2-fluorophenyl)benzene (PubChem CID 54444470) has the molecular formula C14H11ClF2 and a molecular weight of 252.69 g/mol. Its IUPAC name is 1-(2-chloroethyl)-3-fluoro-2-(2-fluorophenyl)benzene.

Molecular Properties

Compound Name1-(2-chloroethyl)-3-fluoro-2-(2-fluorophenyl)benzene
PubChem CID54444470
Molecular FormulaC14H11ClF2
Molecular Weight252.69 g/mol
Exact Mass252.05
IUPAC Name1-(2-chloroethyl)-3-fluoro-2-(2-fluorophenyl)benzene
SMILESFc1ccccc1-c1c(F)cccc1CCCl
InChIInChI=1S/C14H11ClF2/c15-9-8-10-4-3-7-13(17)14(10)11-5-1-2-6-12(11)16/h1-7H,8-9H2
InChIKeyXXYUQDUFRKEVNQ-UHFFFAOYSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.69
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1-(2-chloroethyl)-3-fluoro-2-(2-fluorophenyl)benzene 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-(2-chloroethyl)-3-fluoro-2-(2-fluorophenyl)benzene?
The IUPAC name of 1-(2-chloroethyl)-3-fluoro-2-(2-fluorophenyl)benzene (CID 54444470) is 1-(2-chloroethyl)-3-fluoro-2-(2-fluorophenyl)benzene.
What is the SMILES notation for 1-(2-chloroethyl)-3-fluoro-2-(2-fluorophenyl)benzene?
The canonical SMILES for 1-(2-chloroethyl)-3-fluoro-2-(2-fluorophenyl)benzene is Fc1ccccc1-c1c(F)cccc1CCCl.
What is the InChIKey of 1-(2-chloroethyl)-3-fluoro-2-(2-fluorophenyl)benzene?
The InChIKey is XXYUQDUFRKEVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2/c15-9-8-10-4-3-7-13(17)14(10)11-5-1-2-6-12(11)16/h1-7H,8-9H2.
What are the key properties of 1-(2-chloroethyl)-3-fluoro-2-(2-fluorophenyl)benzene?
1-(2-chloroethyl)-3-fluoro-2-(2-fluorophenyl)benzene has a molecular weight of 252.69 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroethyl)-3-fluoro-2-(2-fluorophenyl)benzene is sourced from PubChem (CID 54444470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).