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

C14H9Cl3F2 — CID 63433697

IUPAC1,2-dichloro-4-[2-chloro-2-(2,4-difluorophenyl)ethyl]benzene
SMILESFc1ccc(C(Cl)Cc2ccc(Cl)c(Cl)c2)c(F)c1
InChIInChI=1S/C14H9Cl3F2/c15-11-4-1-8(6-13(11)17)5-12(16)10-3-2-9(18)7-14(10)19/h1-4,6-7,12H,5H2
InChIKeyUWEWSJCPAVDNBW-UHFFFAOYSA-N
MW321.58 g/mol
LogP5.79
Rot. Bonds3

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

1,2-dichloro-4-[2-chloro-2-(2,4-difluorophenyl)ethyl]benzene (PubChem CID 63433697) has the molecular formula C14H9Cl3F2 and a molecular weight of 321.58 g/mol. Its IUPAC name is 1,2-dichloro-4-[2-chloro-2-(2,4-difluorophenyl)ethyl]benzene.

Molecular Properties

Compound Name1,2-dichloro-4-[2-chloro-2-(2,4-difluorophenyl)ethyl]benzene
PubChem CID63433697
Molecular FormulaC14H9Cl3F2
Molecular Weight321.58 g/mol
Exact Mass319.97
IUPAC Name1,2-dichloro-4-[2-chloro-2-(2,4-difluorophenyl)ethyl]benzene
SMILESFc1ccc(C(Cl)Cc2ccc(Cl)c(Cl)c2)c(F)c1
InChIInChI=1S/C14H9Cl3F2/c15-11-4-1-8(6-13(11)17)5-12(16)10-3-2-9(18)7-14(10)19/h1-4,6-7,12H,5H2
InChIKeyUWEWSJCPAVDNBW-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'}

Analyze 1,2-dichloro-4-[2-chloro-2-(2,4-difluorophenyl)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

4-chloro-1-[1-chloro-2-(4-fluorophenyl)ethyl]-2-fluorobenzene
CID 63544548
2-chloro-3-[1-chloro-2-(3,4-dichlorophenyl)ethyl]furan
CID 106689813
1-(4-chloro-2-fluorophenyl)-2-(3,4-dichlorophenyl)ethanamine
CID 55188144
1,4-dichloro-2-[1-chloro-2-(3-fluorophenyl)ethyl]benzene
CID 63436776
[2-(4-chloro-3-fluorophenyl)-1-(2,4-difluorophenyl)ethyl]hydrazine
CID 107894963
1-(3,4-dichlorophenyl)-3-(2,4-difluorophenyl)-N-methylpropan-2-amine
CID 62196904
2-(3,4-dichlorophenyl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 62607682
1-chloro-4-[1-chloro-2-(4-chlorophenyl)ethyl]-2,5-difluorobenzene
CID 82772537
2,5-dibromo-3-[1-chloro-2-(3,4-dichlorophenyl)ethyl]thiophene
CID 55197767
2-[1-chloro-2-(3,4-dichlorophenyl)ethyl]-1,3-difluoro-5-methoxybenzene
CID 63427176
1-[bromo-(3,4-dichlorophenyl)methyl]-2,4-difluorobenzene
CID 63442364
1-bromo-2-chloro-4-[1-chloro-2-(3-fluorophenyl)ethyl]-5-fluorobenzene
CID 105399717

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-[2-chloro-2-(2,4-difluorophenyl)ethyl]benzene?
The IUPAC name of 1,2-dichloro-4-[2-chloro-2-(2,4-difluorophenyl)ethyl]benzene (CID 63433697) is 1,2-dichloro-4-[2-chloro-2-(2,4-difluorophenyl)ethyl]benzene.
What is the SMILES notation for 1,2-dichloro-4-[2-chloro-2-(2,4-difluorophenyl)ethyl]benzene?
The canonical SMILES for 1,2-dichloro-4-[2-chloro-2-(2,4-difluorophenyl)ethyl]benzene is Fc1ccc(C(Cl)Cc2ccc(Cl)c(Cl)c2)c(F)c1.
What is the InChIKey of 1,2-dichloro-4-[2-chloro-2-(2,4-difluorophenyl)ethyl]benzene?
The InChIKey is UWEWSJCPAVDNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl3F2/c15-11-4-1-8(6-13(11)17)5-12(16)10-3-2-9(18)7-14(10)19/h1-4,6-7,12H,5H2.
What are the key properties of 1,2-dichloro-4-[2-chloro-2-(2,4-difluorophenyl)ethyl]benzene?
1,2-dichloro-4-[2-chloro-2-(2,4-difluorophenyl)ethyl]benzene 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 1,2-dichloro-4-[2-chloro-2-(2,4-difluorophenyl)ethyl]benzene is sourced from PubChem (CID 63433697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).