2-chloro-1-[chloro-(4-chlorophenyl)methyl]-4-fluorobenzene

C13H8Cl3F — CID 63429018

IUPAC2-chloro-1-[chloro-(4-chlorophenyl)methyl]-4-fluorobenzene
SMILESFc1ccc(C(Cl)c2ccc(Cl)cc2)c(Cl)c1
InChIInChI=1S/C13H8Cl3F/c14-9-3-1-8(2-4-9)13(16)11-6-5-10(17)7-12(11)15/h1-7,13H
InChIKeyUTTFYMDLWBIMAX-UHFFFAOYSA-N
MW289.56 g/mol
LogP5.46
Rot. Bonds2

About 2-chloro-1-[chloro-(4-chlorophenyl)methyl]-4-fluorobenzene

2-chloro-1-[chloro-(4-chlorophenyl)methyl]-4-fluorobenzene (PubChem CID 63429018) has the molecular formula C13H8Cl3F and a molecular weight of 289.56 g/mol. Its IUPAC name is 2-chloro-1-[chloro-(4-chlorophenyl)methyl]-4-fluorobenzene.

Molecular Properties

Compound Name2-chloro-1-[chloro-(4-chlorophenyl)methyl]-4-fluorobenzene
PubChem CID63429018
Molecular FormulaC13H8Cl3F
Molecular Weight289.56 g/mol
Exact Mass287.97
IUPAC Name2-chloro-1-[chloro-(4-chlorophenyl)methyl]-4-fluorobenzene
SMILESFc1ccc(C(Cl)c2ccc(Cl)cc2)c(Cl)c1
InChIInChI=1S/C13H8Cl3F/c14-9-3-1-8(2-4-9)13(16)11-6-5-10(17)7-12(11)15/h1-7,13H
InChIKeyUTTFYMDLWBIMAX-UHFFFAOYSA-N
XLogP5.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.56
LogP ≤ 55.46
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-chloro-1-[chloro-(4-methoxyphenyl)methyl]-4-fluorobenzene
CID 63429186
4-chloro-1-[chloro-(4-fluorophenyl)methyl]-2-fluorobenzene
CID 55198108
2,4-dichloro-1-[chloro-(2,5-difluorophenyl)methyl]benzene
CID 63430449
1-[(4-butylphenyl)-chloromethyl]-2-chloro-4-fluorobenzene
CID 63431388
1-[(4-bromophenyl)-chloromethyl]-2,4-dichlorobenzene
CID 63429159
2-bromo-4-chloro-1-[chloro-(4-fluorophenyl)methyl]benzene
CID 107991413
2,4-dichloro-1-[chloro-(5-fluoro-2-methylphenyl)methyl]benzene
CID 55198991
2-chloro-1-[chloro-(4-chlorophenyl)methyl]-4-methoxybenzene
CID 63434290
4-bromo-1-[chloro-(4-chlorophenyl)methyl]-2-fluorobenzene
CID 55199444
1-chloro-2-[chloro-(4-chlorophenyl)methyl]-4,5-dimethylbenzene
CID 113319612
1-bromo-3-[chloro-(2,4-dichlorophenyl)methyl]-5-fluorobenzene
CID 63444025
1,3-dichloro-5-[chloro-(2,4-dichlorophenyl)methyl]benzene
CID 63444209

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[chloro-(4-chlorophenyl)methyl]-4-fluorobenzene?
The IUPAC name of 2-chloro-1-[chloro-(4-chlorophenyl)methyl]-4-fluorobenzene (CID 63429018) is 2-chloro-1-[chloro-(4-chlorophenyl)methyl]-4-fluorobenzene.
What is the SMILES notation for 2-chloro-1-[chloro-(4-chlorophenyl)methyl]-4-fluorobenzene?
The canonical SMILES for 2-chloro-1-[chloro-(4-chlorophenyl)methyl]-4-fluorobenzene is Fc1ccc(C(Cl)c2ccc(Cl)cc2)c(Cl)c1.
What is the InChIKey of 2-chloro-1-[chloro-(4-chlorophenyl)methyl]-4-fluorobenzene?
The InChIKey is UTTFYMDLWBIMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl3F/c14-9-3-1-8(2-4-9)13(16)11-6-5-10(17)7-12(11)15/h1-7,13H.
What are the key properties of 2-chloro-1-[chloro-(4-chlorophenyl)methyl]-4-fluorobenzene?
2-chloro-1-[chloro-(4-chlorophenyl)methyl]-4-fluorobenzene has a molecular weight of 289.56 g/mol, XLogP of 5.46, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[chloro-(4-chlorophenyl)methyl]-4-fluorobenzene is sourced from PubChem (CID 63429018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).