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

C15H12Cl2F2 — CID 79454612

IUPAC2-chloro-1-[3-chloro-2-(2-fluorophenyl)propyl]-4-fluorobenzene
SMILESFc1ccc(CC(CCl)c2ccccc2F)c(Cl)c1
InChIInChI=1S/C15H12Cl2F2/c16-9-11(13-3-1-2-4-15(13)19)7-10-5-6-12(18)8-14(10)17/h1-6,8,11H,7,9H2
InChIKeyUDSRVGYURLRSNO-UHFFFAOYSA-N
MW301.16 g/mol
LogP5.18
Rot. Bonds4

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

2-chloro-1-[3-chloro-2-(2-fluorophenyl)propyl]-4-fluorobenzene (PubChem CID 79454612) has the molecular formula C15H12Cl2F2 and a molecular weight of 301.16 g/mol. Its IUPAC name is 2-chloro-1-[3-chloro-2-(2-fluorophenyl)propyl]-4-fluorobenzene.

Molecular Properties

Compound Name2-chloro-1-[3-chloro-2-(2-fluorophenyl)propyl]-4-fluorobenzene
PubChem CID79454612
Molecular FormulaC15H12Cl2F2
Molecular Weight301.16 g/mol
Exact Mass300.03
IUPAC Name2-chloro-1-[3-chloro-2-(2-fluorophenyl)propyl]-4-fluorobenzene
SMILESFc1ccc(CC(CCl)c2ccccc2F)c(Cl)c1
InChIInChI=1S/C15H12Cl2F2/c16-9-11(13-3-1-2-4-15(13)19)7-10-5-6-12(18)8-14(10)17/h1-6,8,11H,7,9H2
InChIKeyUDSRVGYURLRSNO-UHFFFAOYSA-N
XLogP5.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.16
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-chloro-1-[3-chloro-2-(2-fluorophenyl)propyl]-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

Related Compounds

2-chloro-1-[3-chloro-2-(2-chlorophenyl)propyl]-4-fluorobenzene
CID 79455239
3-(2-chloro-4-fluorophenyl)-2-(2-fluorophenyl)-N-methylpropan-1-amine
CID 79439309
1-[3-bromo-2-(2-fluorophenyl)propyl]-2,4-difluorobenzene
CID 79454466
4-chloro-2-[3-chloro-2-(2-fluorophenyl)propyl]-1-methoxybenzene
CID 79454294
1,4-dichloro-2-[3-chloro-2-(2-chlorophenyl)propyl]benzene
CID 79455159
1-bromo-2-[2-(2-bromophenyl)-3-chloropropyl]-4-fluorobenzene
CID 79454251
1-[3-chloro-2-(2-fluorophenyl)propyl]-2-fluoro-3-methoxybenzene
CID 104795544
2-bromo-1-[3-chloro-2-(2-methylphenyl)propyl]-4-fluorobenzene
CID 79419241
2-(2,4-dichlorophenyl)-1-(2-fluorophenyl)ethanamine
CID 62502807
2-(2-chloro-4-fluorophenyl)-1-(2-methylphenyl)ethanamine
CID 55095442
2-(2-chloro-4-fluorophenyl)-1-(2,3-difluorophenyl)-N-methylethanamine
CID 63987777
2-chloro-4-[3-chloro-2-(2-chlorophenyl)propyl]-1-fluorobenzene
CID 103042096

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[3-chloro-2-(2-fluorophenyl)propyl]-4-fluorobenzene?
The IUPAC name of 2-chloro-1-[3-chloro-2-(2-fluorophenyl)propyl]-4-fluorobenzene (CID 79454612) is 2-chloro-1-[3-chloro-2-(2-fluorophenyl)propyl]-4-fluorobenzene.
What is the SMILES notation for 2-chloro-1-[3-chloro-2-(2-fluorophenyl)propyl]-4-fluorobenzene?
The canonical SMILES for 2-chloro-1-[3-chloro-2-(2-fluorophenyl)propyl]-4-fluorobenzene is Fc1ccc(CC(CCl)c2ccccc2F)c(Cl)c1.
What is the InChIKey of 2-chloro-1-[3-chloro-2-(2-fluorophenyl)propyl]-4-fluorobenzene?
The InChIKey is UDSRVGYURLRSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2F2/c16-9-11(13-3-1-2-4-15(13)19)7-10-5-6-12(18)8-14(10)17/h1-6,8,11H,7,9H2.
What are the key properties of 2-chloro-1-[3-chloro-2-(2-fluorophenyl)propyl]-4-fluorobenzene?
2-chloro-1-[3-chloro-2-(2-fluorophenyl)propyl]-4-fluorobenzene has a molecular weight of 301.16 g/mol, XLogP of 5.18, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[3-chloro-2-(2-fluorophenyl)propyl]-4-fluorobenzene is sourced from PubChem (CID 79454612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).