4-chloro-1-[1-chloro-2-(4-fluorophenyl)ethyl]-2-fluorobenzene

C14H10Cl2F2 — CID 63544548

IUPAC4-chloro-1-[1-chloro-2-(4-fluorophenyl)ethyl]-2-fluorobenzene
SMILESFc1ccc(CC(Cl)c2ccc(Cl)cc2F)cc1
InChIInChI=1S/C14H10Cl2F2/c15-10-3-6-12(14(18)8-10)13(16)7-9-1-4-11(17)5-2-9/h1-6,8,13H,7H2
InChIKeyNKAQVKQOUIFXMU-UHFFFAOYSA-N
MW287.14 g/mol
LogP5.14
Rot. Bonds3

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

4-chloro-1-[1-chloro-2-(4-fluorophenyl)ethyl]-2-fluorobenzene (PubChem CID 63544548) has the molecular formula C14H10Cl2F2 and a molecular weight of 287.14 g/mol. Its IUPAC name is 4-chloro-1-[1-chloro-2-(4-fluorophenyl)ethyl]-2-fluorobenzene.

Molecular Properties

Compound Name4-chloro-1-[1-chloro-2-(4-fluorophenyl)ethyl]-2-fluorobenzene
PubChem CID63544548
Molecular FormulaC14H10Cl2F2
Molecular Weight287.14 g/mol
Exact Mass286.01
IUPAC Name4-chloro-1-[1-chloro-2-(4-fluorophenyl)ethyl]-2-fluorobenzene
SMILESFc1ccc(CC(Cl)c2ccc(Cl)cc2F)cc1
InChIInChI=1S/C14H10Cl2F2/c15-10-3-6-12(14(18)8-10)13(16)7-9-1-4-11(17)5-2-9/h1-6,8,13H,7H2
InChIKeyNKAQVKQOUIFXMU-UHFFFAOYSA-N
XLogP5.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.14
LogP ≤ 55.14
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

1,2-dichloro-4-[2-chloro-2-(2,4-difluorophenyl)ethyl]benzene
CID 63433697
1-(4-chloro-2-fluorophenyl)-2-(4-fluorophenyl)-N-methylethanamine
CID 61064661
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-difluorobenzene
CID 107477250
4-chloro-1-[chloro-(4-fluorophenyl)methyl]-2-fluorobenzene
CID 55198108
1,4-dibromo-2-[1-chloro-2-(4-fluorophenyl)ethyl]benzene
CID 63429264
1-(4-chloro-2-fluorophenyl)-2-(4-methylphenyl)ethanol
CID 63016785
3-[1-chloro-2-(4-fluorophenyl)ethyl]-2,5-dimethylthiophene
CID 63432678
1,4-dichloro-2-[1-chloro-2-(3-fluorophenyl)ethyl]benzene
CID 63436776
2-[1-chloro-2-(4-nitrophenyl)ethyl]-1,4-difluorobenzene
CID 63016833
[1-(2-bromo-4-chlorophenyl)-2-(4-fluorophenyl)ethyl]hydrazine
CID 107996645
1-chloro-4-[1-chloro-2-(3-chlorophenyl)ethyl]-2,5-difluorobenzene
CID 82771839

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[1-chloro-2-(4-fluorophenyl)ethyl]-2-fluorobenzene?
The IUPAC name of 4-chloro-1-[1-chloro-2-(4-fluorophenyl)ethyl]-2-fluorobenzene (CID 63544548) is 4-chloro-1-[1-chloro-2-(4-fluorophenyl)ethyl]-2-fluorobenzene.
What is the SMILES notation for 4-chloro-1-[1-chloro-2-(4-fluorophenyl)ethyl]-2-fluorobenzene?
The canonical SMILES for 4-chloro-1-[1-chloro-2-(4-fluorophenyl)ethyl]-2-fluorobenzene is Fc1ccc(CC(Cl)c2ccc(Cl)cc2F)cc1.
What is the InChIKey of 4-chloro-1-[1-chloro-2-(4-fluorophenyl)ethyl]-2-fluorobenzene?
The InChIKey is NKAQVKQOUIFXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2F2/c15-10-3-6-12(14(18)8-10)13(16)7-9-1-4-11(17)5-2-9/h1-6,8,13H,7H2.
What are the key properties of 4-chloro-1-[1-chloro-2-(4-fluorophenyl)ethyl]-2-fluorobenzene?
4-chloro-1-[1-chloro-2-(4-fluorophenyl)ethyl]-2-fluorobenzene has a molecular weight of 287.14 g/mol, XLogP of 5.14, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[1-chloro-2-(4-fluorophenyl)ethyl]-2-fluorobenzene is sourced from PubChem (CID 63544548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).