1-chloro-2-[1-chloro-2-(4-chlorophenyl)ethyl]-4,5-difluorobenzene

C14H9Cl3F2 — CID 107477250

IUPAC1-chloro-2-[1-chloro-2-(4-chlorophenyl)ethyl]-4,5-difluorobenzene
SMILESFc1cc(Cl)c(C(Cl)Cc2ccc(Cl)cc2)cc1F
InChIInChI=1S/C14H9Cl3F2/c15-9-3-1-8(2-4-9)5-11(16)10-6-13(18)14(19)7-12(10)17/h1-4,6-7,11H,5H2
InChIKeyIJCZQYMWGRJZLB-UHFFFAOYSA-N
MW321.58 g/mol
LogP5.79
Rot. Bonds3

About 1-chloro-2-[1-chloro-2-(4-chlorophenyl)ethyl]-4,5-difluorobenzene

1-chloro-2-[1-chloro-2-(4-chlorophenyl)ethyl]-4,5-difluorobenzene (PubChem CID 107477250) has the molecular formula C14H9Cl3F2 and a molecular weight of 321.58 g/mol. Its IUPAC name is 1-chloro-2-[1-chloro-2-(4-chlorophenyl)ethyl]-4,5-difluorobenzene.

Molecular Properties

Compound Name1-chloro-2-[1-chloro-2-(4-chlorophenyl)ethyl]-4,5-difluorobenzene
PubChem CID107477250
Molecular FormulaC14H9Cl3F2
Molecular Weight321.58 g/mol
Exact Mass319.97
IUPAC Name1-chloro-2-[1-chloro-2-(4-chlorophenyl)ethyl]-4,5-difluorobenzene
SMILESFc1cc(Cl)c(C(Cl)Cc2ccc(Cl)cc2)cc1F
InChIInChI=1S/C14H9Cl3F2/c15-9-3-1-8(2-4-9)5-11(16)10-6-13(18)14(19)7-12(10)17/h1-4,6-7,11H,5H2
InChIKeyIJCZQYMWGRJZLB-UHFFFAOYSA-N
XLogP5.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.58
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-chloro-4-[1-chloro-2-(4-chlorophenyl)ethyl]-2,5-difluorobenzene
CID 82772537
1-chloro-2-[1-chloro-2-(4-chlorophenyl)ethyl]-4,5-dimethylbenzene
CID 113319615
1-chloro-2-[1-chloro-2-(4-chlorophenyl)ethyl]-4,5-dimethoxybenzene
CID 63432776
4-chloro-1-[1-chloro-2-(4-fluorophenyl)ethyl]-2-fluorobenzene
CID 63544548
1-(2-chloro-4,5-difluorophenyl)-2-(4-fluorophenyl)ethanamine
CID 107476079
1-chloro-4-[1-chloro-2-(3-chlorophenyl)ethyl]-2,5-difluorobenzene
CID 82771839
1,4-dichloro-2-(1-chloro-2-phenylethyl)benzene
CID 55249874
1-bromo-2-chloro-4-[1-chloro-2-(3,4-difluorophenyl)ethyl]-5-fluorobenzene
CID 105399766
1,4-dichloro-2-[1-chloro-2-(3-fluorophenyl)ethyl]benzene
CID 63436776
1-chloro-4-[1-chloro-2-(4-chlorophenyl)ethyl]benzene
CID 529342
1-chloro-2-[1-chloro-2-(3-methylphenyl)ethyl]-5-fluoro-4-methylbenzene
CID 81050258
1-(2-chloro-4,5-difluorophenyl)-2-(3,4-difluorophenyl)-N-methylethanamine
CID 107476269

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[1-chloro-2-(4-chlorophenyl)ethyl]-4,5-difluorobenzene?
The IUPAC name of 1-chloro-2-[1-chloro-2-(4-chlorophenyl)ethyl]-4,5-difluorobenzene (CID 107477250) is 1-chloro-2-[1-chloro-2-(4-chlorophenyl)ethyl]-4,5-difluorobenzene.
What is the SMILES notation for 1-chloro-2-[1-chloro-2-(4-chlorophenyl)ethyl]-4,5-difluorobenzene?
The canonical SMILES for 1-chloro-2-[1-chloro-2-(4-chlorophenyl)ethyl]-4,5-difluorobenzene is Fc1cc(Cl)c(C(Cl)Cc2ccc(Cl)cc2)cc1F.
What is the InChIKey of 1-chloro-2-[1-chloro-2-(4-chlorophenyl)ethyl]-4,5-difluorobenzene?
The InChIKey is IJCZQYMWGRJZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl3F2/c15-9-3-1-8(2-4-9)5-11(16)10-6-13(18)14(19)7-12(10)17/h1-4,6-7,11H,5H2.
What are the key properties of 1-chloro-2-[1-chloro-2-(4-chlorophenyl)ethyl]-4,5-difluorobenzene?
1-chloro-2-[1-chloro-2-(4-chlorophenyl)ethyl]-4,5-difluorobenzene has a molecular weight of 321.58 g/mol, XLogP of 5.79, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[1-chloro-2-(4-chlorophenyl)ethyl]-4,5-difluorobenzene is sourced from PubChem (CID 107477250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).