1-chloro-4-[1-chloro-2-(3,4-difluorophenyl)ethyl]-2-fluorobenzene

C14H9Cl2F3 — CID 107993476

IUPAC1-chloro-4-[1-chloro-2-(3,4-difluorophenyl)ethyl]-2-fluorobenzene
SMILESFc1ccc(CC(Cl)c2ccc(Cl)c(F)c2)cc1F
InChIInChI=1S/C14H9Cl2F3/c15-10-3-2-9(7-13(10)18)11(16)5-8-1-4-12(17)14(19)6-8/h1-4,6-7,11H,5H2
InChIKeyVAOXJRWNOMCKEO-UHFFFAOYSA-N
MW305.13 g/mol
LogP5.28
Rot. Bonds3

About 1-chloro-4-[1-chloro-2-(3,4-difluorophenyl)ethyl]-2-fluorobenzene

1-chloro-4-[1-chloro-2-(3,4-difluorophenyl)ethyl]-2-fluorobenzene (PubChem CID 107993476) has the molecular formula C14H9Cl2F3 and a molecular weight of 305.13 g/mol. Its IUPAC name is 1-chloro-4-[1-chloro-2-(3,4-difluorophenyl)ethyl]-2-fluorobenzene.

Molecular Properties

Compound Name1-chloro-4-[1-chloro-2-(3,4-difluorophenyl)ethyl]-2-fluorobenzene
PubChem CID107993476
Molecular FormulaC14H9Cl2F3
Molecular Weight305.13 g/mol
Exact Mass304.00
IUPAC Name1-chloro-4-[1-chloro-2-(3,4-difluorophenyl)ethyl]-2-fluorobenzene
SMILESFc1ccc(CC(Cl)c2ccc(Cl)c(F)c2)cc1F
InChIInChI=1S/C14H9Cl2F3/c15-10-3-2-9(7-13(10)18)11(16)5-8-1-4-12(17)14(19)6-8/h1-4,6-7,11H,5H2
InChIKeyVAOXJRWNOMCKEO-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.13
LogP ≤ 55.28
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

2-(3,4-dichlorophenyl)-1-(3,4-difluorophenyl)ethanol
CID 62607593
2-chloro-4-[1-chloro-2-(3,4-dimethylphenyl)ethyl]-1-fluorobenzene
CID 82880182
2-(3-chloro-4-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanamine
CID 107995842
4-[1-bromo-2-(4-chlorophenyl)ethyl]-1-chloro-2-fluorobenzene
CID 107993413
1-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)ethanamine
CID 107988757
(4-chloro-3-fluorophenyl)-(3,4-difluorophenyl)methanamine
CID 114025088
1-chloro-4-(2-chloro-3-methylbutyl)-2-fluorobenzene
CID 130480157
4-[1-chloro-2-(3,4-dimethylphenyl)ethyl]-2-fluoro-1-methylbenzene
CID 55224820
2-chloro-4-[1-chloro-2-(3,4-dimethoxyphenyl)ethyl]-1-fluorobenzene
CID 82876049
1-bromo-2-chloro-4-[1-chloro-2-(3,4-difluorophenyl)ethyl]-5-fluorobenzene
CID 105399766
1-(3-bromo-4-chlorophenyl)-2-(3,4-difluorophenyl)ethanol
CID 82919458
1-chloro-4-[1-chloro-2-(4-chlorophenyl)ethyl]benzene
CID 529342

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[1-chloro-2-(3,4-difluorophenyl)ethyl]-2-fluorobenzene?
The IUPAC name of 1-chloro-4-[1-chloro-2-(3,4-difluorophenyl)ethyl]-2-fluorobenzene (CID 107993476) is 1-chloro-4-[1-chloro-2-(3,4-difluorophenyl)ethyl]-2-fluorobenzene.
What is the SMILES notation for 1-chloro-4-[1-chloro-2-(3,4-difluorophenyl)ethyl]-2-fluorobenzene?
The canonical SMILES for 1-chloro-4-[1-chloro-2-(3,4-difluorophenyl)ethyl]-2-fluorobenzene is Fc1ccc(CC(Cl)c2ccc(Cl)c(F)c2)cc1F.
What is the InChIKey of 1-chloro-4-[1-chloro-2-(3,4-difluorophenyl)ethyl]-2-fluorobenzene?
The InChIKey is VAOXJRWNOMCKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2F3/c15-10-3-2-9(7-13(10)18)11(16)5-8-1-4-12(17)14(19)6-8/h1-4,6-7,11H,5H2.
What are the key properties of 1-chloro-4-[1-chloro-2-(3,4-difluorophenyl)ethyl]-2-fluorobenzene?
1-chloro-4-[1-chloro-2-(3,4-difluorophenyl)ethyl]-2-fluorobenzene has a molecular weight of 305.13 g/mol, XLogP of 5.28, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[1-chloro-2-(3,4-difluorophenyl)ethyl]-2-fluorobenzene is sourced from PubChem (CID 107993476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).