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

C15H12Cl3F — CID 103042096

IUPAC2-chloro-4-[3-chloro-2-(2-chlorophenyl)propyl]-1-fluorobenzene
SMILESFc1ccc(CC(CCl)c2ccccc2Cl)cc1Cl
InChIInChI=1S/C15H12Cl3F/c16-9-11(12-3-1-2-4-13(12)17)7-10-5-6-15(19)14(18)8-10/h1-6,8,11H,7,9H2
InChIKeyDMLHTZIIROBAKV-UHFFFAOYSA-N
MW317.62 g/mol
LogP5.70
Rot. Bonds4

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

2-chloro-4-[3-chloro-2-(2-chlorophenyl)propyl]-1-fluorobenzene (PubChem CID 103042096) has the molecular formula C15H12Cl3F and a molecular weight of 317.62 g/mol. Its IUPAC name is 2-chloro-4-[3-chloro-2-(2-chlorophenyl)propyl]-1-fluorobenzene.

Molecular Properties

Compound Name2-chloro-4-[3-chloro-2-(2-chlorophenyl)propyl]-1-fluorobenzene
PubChem CID103042096
Molecular FormulaC15H12Cl3F
Molecular Weight317.62 g/mol
Exact Mass316.00
IUPAC Name2-chloro-4-[3-chloro-2-(2-chlorophenyl)propyl]-1-fluorobenzene
SMILESFc1ccc(CC(CCl)c2ccccc2Cl)cc1Cl
InChIInChI=1S/C15H12Cl3F/c16-9-11(12-3-1-2-4-13(12)17)7-10-5-6-15(19)14(18)8-10/h1-6,8,11H,7,9H2
InChIKeyDMLHTZIIROBAKV-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'}

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Related Compounds

3-(3-chloro-4-fluorophenyl)-2-(2-chlorophenyl)propan-1-amine
CID 103041153
1,2-dichloro-4-[3-chloro-2-(2-chlorophenyl)propyl]benzene
CID 79454700
2-(3-chloro-4-fluorophenyl)-1-(2-chlorophenyl)ethanol
CID 103038949
2-chloro-4-[3-chloro-2-(3-chlorophenyl)propyl]-1-fluorobenzene
CID 103042092
1-chloro-2-[1-chloro-3-[3-(trifluoromethyl)phenyl]propan-2-yl]benzene
CID 79437571
2-bromo-4-[3-bromo-2-(2-chlorophenyl)propyl]-1-fluorobenzene
CID 79454780
3-(3-chloro-4-fluorophenyl)-2-(2-chlorophenyl)propanoic acid
CID 103038733
1,4-dichloro-2-[3-chloro-2-(2-chlorophenyl)propyl]benzene
CID 79455159
2-chloro-1-[3-chloro-2-(2-chlorophenyl)propyl]-4-fluorobenzene
CID 79455239
3-(3-chloro-4-fluorophenyl)-N-methyl-2-(2-methylphenyl)propan-1-amine
CID 103041125
(2S)-2-(2-chlorophenyl)-3-(4-chlorophenyl)propan-1-ol
CID 42135569
4-[2-(bromomethyl)-3-(2-chlorophenyl)propyl]-2-chloro-1-fluorobenzene
CID 103042082

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[3-chloro-2-(2-chlorophenyl)propyl]-1-fluorobenzene?
The IUPAC name of 2-chloro-4-[3-chloro-2-(2-chlorophenyl)propyl]-1-fluorobenzene (CID 103042096) is 2-chloro-4-[3-chloro-2-(2-chlorophenyl)propyl]-1-fluorobenzene.
What is the SMILES notation for 2-chloro-4-[3-chloro-2-(2-chlorophenyl)propyl]-1-fluorobenzene?
The canonical SMILES for 2-chloro-4-[3-chloro-2-(2-chlorophenyl)propyl]-1-fluorobenzene is Fc1ccc(CC(CCl)c2ccccc2Cl)cc1Cl.
What is the InChIKey of 2-chloro-4-[3-chloro-2-(2-chlorophenyl)propyl]-1-fluorobenzene?
The InChIKey is DMLHTZIIROBAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl3F/c16-9-11(12-3-1-2-4-13(12)17)7-10-5-6-15(19)14(18)8-10/h1-6,8,11H,7,9H2.
What are the key properties of 2-chloro-4-[3-chloro-2-(2-chlorophenyl)propyl]-1-fluorobenzene?
2-chloro-4-[3-chloro-2-(2-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-(2-chlorophenyl)propyl]-1-fluorobenzene is sourced from PubChem (CID 103042096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).