1-(1-chloroethyl)-4-fluorobenzene

C8H8ClF — CID 4961739

IUPAC1-(1-chloroethyl)-4-fluorobenzene
SMILESCC(Cl)c1ccc(F)cc1
InChIInChI=1S/C8H8ClF/c1-6(9)7-2-4-8(10)5-3-7/h2-6H,1H3
InChIKeyZWOBTWLZWFIELC-UHFFFAOYSA-N
MW158.60 g/mol
LogP3.13
Rot. Bonds1

About 1-(1-chloroethyl)-4-fluorobenzene

1-(1-chloroethyl)-4-fluorobenzene (PubChem CID 4961739) has the molecular formula C8H8ClF and a molecular weight of 158.60 g/mol. Its IUPAC name is 1-(1-chloroethyl)-4-fluorobenzene.

Molecular Properties

Compound Name1-(1-chloroethyl)-4-fluorobenzene
PubChem CID4961739
Molecular FormulaC8H8ClF
Molecular Weight158.60 g/mol
Exact Mass158.03
IUPAC Name1-(1-chloroethyl)-4-fluorobenzene
SMILESCC(Cl)c1ccc(F)cc1
InChIInChI=1S/C8H8ClF/c1-6(9)7-2-4-8(10)5-3-7/h2-6H,1H3
InChIKeyZWOBTWLZWFIELC-UHFFFAOYSA-N
XLogP3.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.60
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-(1-chloroethyl)-4-fluorobenzene 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-(1-chloroethyl)-4-fluorobenzene?
The IUPAC name of 1-(1-chloroethyl)-4-fluorobenzene (CID 4961739) is 1-(1-chloroethyl)-4-fluorobenzene.
What is the SMILES notation for 1-(1-chloroethyl)-4-fluorobenzene?
The canonical SMILES for 1-(1-chloroethyl)-4-fluorobenzene is CC(Cl)c1ccc(F)cc1.
What is the InChIKey of 1-(1-chloroethyl)-4-fluorobenzene?
The InChIKey is ZWOBTWLZWFIELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF/c1-6(9)7-2-4-8(10)5-3-7/h2-6H,1H3.
What are the key properties of 1-(1-chloroethyl)-4-fluorobenzene?
1-(1-chloroethyl)-4-fluorobenzene has a molecular weight of 158.60 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-chloroethyl)-4-fluorobenzene is sourced from PubChem (CID 4961739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).