1,4-dichloro-2-[1-chloro-2-(3-fluorophenyl)ethyl]benzene

C14H10Cl3F — CID 63436776

IUPAC1,4-dichloro-2-[1-chloro-2-(3-fluorophenyl)ethyl]benzene
SMILESFc1cccc(CC(Cl)c2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C14H10Cl3F/c15-10-4-5-13(16)12(8-10)14(17)7-9-2-1-3-11(18)6-9/h1-6,8,14H,7H2
InChIKeyWSQMZCHBPZLYHU-UHFFFAOYSA-N
MW303.59 g/mol
LogP5.66
Rot. Bonds3

About 1,4-dichloro-2-[1-chloro-2-(3-fluorophenyl)ethyl]benzene

1,4-dichloro-2-[1-chloro-2-(3-fluorophenyl)ethyl]benzene (PubChem CID 63436776) has the molecular formula C14H10Cl3F and a molecular weight of 303.59 g/mol. Its IUPAC name is 1,4-dichloro-2-[1-chloro-2-(3-fluorophenyl)ethyl]benzene.

Molecular Properties

Compound Name1,4-dichloro-2-[1-chloro-2-(3-fluorophenyl)ethyl]benzene
PubChem CID63436776
Molecular FormulaC14H10Cl3F
Molecular Weight303.59 g/mol
Exact Mass301.98
IUPAC Name1,4-dichloro-2-[1-chloro-2-(3-fluorophenyl)ethyl]benzene
SMILESFc1cccc(CC(Cl)c2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C14H10Cl3F/c15-10-4-5-13(16)12(8-10)14(17)7-9-2-1-3-11(18)6-9/h1-6,8,14H,7H2
InChIKeyWSQMZCHBPZLYHU-UHFFFAOYSA-N
XLogP5.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.59
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,4-dichloro-2-[1-chloro-2-(3-fluorophenyl)ethyl]benzene 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

1,4-dichloro-2-(1-chloro-2-phenylethyl)benzene
CID 55249874
4-chloro-2-[1-chloro-2-(3-fluorophenyl)ethyl]-1-methoxybenzene
CID 63542483
1-(2,5-dichlorophenyl)-2-(3-fluorophenyl)ethanamine
CID 43344680
1-bromo-2-chloro-4-[1-chloro-2-(3-fluorophenyl)ethyl]-5-fluorobenzene
CID 105399717
2-chloro-3-[1-chloro-2-(3-fluorophenyl)ethyl]furan
CID 106689750
2-[1-bromo-2-(3-fluorophenyl)ethyl]-4-chloro-1-fluorobenzene
CID 63543856
1-(2,5-dichlorophenyl)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 43492963
1-chloro-4-[1-chloro-2-(3-chlorophenyl)ethyl]-2,5-difluorobenzene
CID 82771839
1-bromo-2-[1-chloro-2-(3-fluorophenyl)ethyl]-4-fluorobenzene
CID 63543533
2-[1-bromo-2-(3-fluorophenyl)ethyl]-4-chloro-1-methylbenzene
CID 82890576
2-[1-chloro-2-(3-chlorophenyl)ethyl]-1-fluoro-4-methylbenzene
CID 63543581
2-[1-chloro-2-(3-fluorophenyl)ethyl]-1,3-difluoro-4-methylbenzene
CID 82815468

Frequently Asked Questions

What is the IUPAC name of 1,4-dichloro-2-[1-chloro-2-(3-fluorophenyl)ethyl]benzene?
The IUPAC name of 1,4-dichloro-2-[1-chloro-2-(3-fluorophenyl)ethyl]benzene (CID 63436776) is 1,4-dichloro-2-[1-chloro-2-(3-fluorophenyl)ethyl]benzene.
What is the SMILES notation for 1,4-dichloro-2-[1-chloro-2-(3-fluorophenyl)ethyl]benzene?
The canonical SMILES for 1,4-dichloro-2-[1-chloro-2-(3-fluorophenyl)ethyl]benzene is Fc1cccc(CC(Cl)c2cc(Cl)ccc2Cl)c1.
What is the InChIKey of 1,4-dichloro-2-[1-chloro-2-(3-fluorophenyl)ethyl]benzene?
The InChIKey is WSQMZCHBPZLYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl3F/c15-10-4-5-13(16)12(8-10)14(17)7-9-2-1-3-11(18)6-9/h1-6,8,14H,7H2.
What are the key properties of 1,4-dichloro-2-[1-chloro-2-(3-fluorophenyl)ethyl]benzene?
1,4-dichloro-2-[1-chloro-2-(3-fluorophenyl)ethyl]benzene has a molecular weight of 303.59 g/mol, XLogP of 5.66, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dichloro-2-[1-chloro-2-(3-fluorophenyl)ethyl]benzene is sourced from PubChem (CID 63436776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).