1-chloro-4-[(4-chlorophenyl)-difluoromethyl]benzene

C13H8Cl2F2 — CID 10967670

IUPAC1-chloro-4-[(4-chlorophenyl)-difluoromethyl]benzene
SMILESFC(F)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C13H8Cl2F2/c14-11-5-1-9(2-6-11)13(16,17)10-3-7-12(15)8-4-10/h1-8H
InChIKeyRKTBOOFDLJFHBV-UHFFFAOYSA-N
MW273.11 g/mol
LogP5.13
Rot. Bonds2

About 1-chloro-4-[(4-chlorophenyl)-difluoromethyl]benzene

1-chloro-4-[(4-chlorophenyl)-difluoromethyl]benzene (PubChem CID 10967670) has the molecular formula C13H8Cl2F2 and a molecular weight of 273.11 g/mol. Its IUPAC name is 1-chloro-4-[(4-chlorophenyl)-difluoromethyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[(4-chlorophenyl)-difluoromethyl]benzene
PubChem CID10967670
Molecular FormulaC13H8Cl2F2
Molecular Weight273.11 g/mol
Exact Mass272.00
IUPAC Name1-chloro-4-[(4-chlorophenyl)-difluoromethyl]benzene
SMILESFC(F)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C13H8Cl2F2/c14-11-5-1-9(2-6-11)13(16,17)10-3-7-12(15)8-4-10/h1-8H
InChIKeyRKTBOOFDLJFHBV-UHFFFAOYSA-N
XLogP5.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.11
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[(4-chlorophenyl)-difluoromethyl]benzene?
The IUPAC name of 1-chloro-4-[(4-chlorophenyl)-difluoromethyl]benzene (CID 10967670) is 1-chloro-4-[(4-chlorophenyl)-difluoromethyl]benzene.
What is the SMILES notation for 1-chloro-4-[(4-chlorophenyl)-difluoromethyl]benzene?
The canonical SMILES for 1-chloro-4-[(4-chlorophenyl)-difluoromethyl]benzene is FC(F)(c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-[(4-chlorophenyl)-difluoromethyl]benzene?
The InChIKey is RKTBOOFDLJFHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2F2/c14-11-5-1-9(2-6-11)13(16,17)10-3-7-12(15)8-4-10/h1-8H.
What are the key properties of 1-chloro-4-[(4-chlorophenyl)-difluoromethyl]benzene?
1-chloro-4-[(4-chlorophenyl)-difluoromethyl]benzene has a molecular weight of 273.11 g/mol, XLogP of 5.13, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[(4-chlorophenyl)-difluoromethyl]benzene is sourced from PubChem (CID 10967670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).