2-chloro-4-[3-chloro-2-(3-chlorophenyl)propyl]-1-fluorobenzene

C15H12Cl3F — CID 103042092

IUPAC2-chloro-4-[3-chloro-2-(3-chlorophenyl)propyl]-1-fluorobenzene
SMILESFc1ccc(CC(CCl)c2cccc(Cl)c2)cc1Cl
InChIInChI=1S/C15H12Cl3F/c16-9-12(11-2-1-3-13(17)8-11)6-10-4-5-15(19)14(18)7-10/h1-5,7-8,12H,6,9H2
InChIKeyVRGGDEVJYGLGMG-UHFFFAOYSA-N
MW317.62 g/mol
LogP5.70
Rot. Bonds4

About 2-chloro-4-[3-chloro-2-(3-chlorophenyl)propyl]-1-fluorobenzene

2-chloro-4-[3-chloro-2-(3-chlorophenyl)propyl]-1-fluorobenzene (PubChem CID 103042092) has the molecular formula C15H12Cl3F and a molecular weight of 317.62 g/mol. Its IUPAC name is 2-chloro-4-[3-chloro-2-(3-chlorophenyl)propyl]-1-fluorobenzene.

Molecular Properties

Compound Name2-chloro-4-[3-chloro-2-(3-chlorophenyl)propyl]-1-fluorobenzene
PubChem CID103042092
Molecular FormulaC15H12Cl3F
Molecular Weight317.62 g/mol
Exact Mass316.00
IUPAC Name2-chloro-4-[3-chloro-2-(3-chlorophenyl)propyl]-1-fluorobenzene
SMILESFc1ccc(CC(CCl)c2cccc(Cl)c2)cc1Cl
InChIInChI=1S/C15H12Cl3F/c16-9-12(11-2-1-3-13(17)8-11)6-10-4-5-15(19)14(18)7-10/h1-5,7-8,12H,6,9H2
InChIKeyVRGGDEVJYGLGMG-UHFFFAOYSA-N
XLogP5.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.62
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-chloro-4-[3-chloro-2-(3-chlorophenyl)propyl]-1-fluorobenzene with MolForge

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

Launch Full Analysis

Related Compounds

3-(3-chloro-4-fluorophenyl)-2-(3-chlorophenyl)propan-1-ol
CID 103041999
3-(3-chloro-4-fluorophenyl)-2-(3-methylphenyl)propan-1-ol
CID 103041993
2-chloro-4-[3-chloro-2-(2-chlorophenyl)propyl]-1-fluorobenzene
CID 103042096
1-bromo-3-[3-chloro-2-(3-chlorophenyl)propyl]-2,4-difluorobenzene
CID 106273850
2-bromo-4-[3-chloro-2-(3-chlorophenyl)propyl]-1-methoxybenzene
CID 79432256
2-(3-chloro-4-fluorophenyl)-1-phenylethanamine
CID 81144923
2-(3-bromophenyl)-3-(3-chloro-4-fluorophenyl)-N-ethylpropan-1-amine
CID 103041147
1-(3-bromophenyl)-2-(3-chloro-4-fluorophenyl)ethanol
CID 103038952
4-[2-[(3-bromophenyl)methyl]-3-chloropropyl]-2-chloro-1-fluorobenzene
CID 103042042
1-(3-chloro-4-fluorophenyl)propan-2-amine
CID 55254568
2-[3-chloro-2-(3-chlorophenyl)propyl]-1,3,5-trimethylbenzene
CID 79432496
1-[3-bromo-2-(3-chlorophenyl)propyl]-3,5-difluorobenzene
CID 105410987

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[3-chloro-2-(3-chlorophenyl)propyl]-1-fluorobenzene?
The IUPAC name of 2-chloro-4-[3-chloro-2-(3-chlorophenyl)propyl]-1-fluorobenzene (CID 103042092) is 2-chloro-4-[3-chloro-2-(3-chlorophenyl)propyl]-1-fluorobenzene.
What is the SMILES notation for 2-chloro-4-[3-chloro-2-(3-chlorophenyl)propyl]-1-fluorobenzene?
The canonical SMILES for 2-chloro-4-[3-chloro-2-(3-chlorophenyl)propyl]-1-fluorobenzene is Fc1ccc(CC(CCl)c2cccc(Cl)c2)cc1Cl.
What is the InChIKey of 2-chloro-4-[3-chloro-2-(3-chlorophenyl)propyl]-1-fluorobenzene?
The InChIKey is VRGGDEVJYGLGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl3F/c16-9-12(11-2-1-3-13(17)8-11)6-10-4-5-15(19)14(18)7-10/h1-5,7-8,12H,6,9H2.
What are the key properties of 2-chloro-4-[3-chloro-2-(3-chlorophenyl)propyl]-1-fluorobenzene?
2-chloro-4-[3-chloro-2-(3-chlorophenyl)propyl]-1-fluorobenzene has a molecular weight of 317.62 g/mol, XLogP of 5.70, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[3-chloro-2-(3-chlorophenyl)propyl]-1-fluorobenzene is sourced from PubChem (CID 103042092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).