1-bromo-4-[2-(4-chlorophenyl)-1,1-difluoroethyl]benzene

C14H10BrClF2 — CID 126619244

IUPAC1-bromo-4-[2-(4-chlorophenyl)-1,1-difluoroethyl]benzene
SMILESFC(F)(Cc1ccc(Cl)cc1)c1ccc(Br)cc1
InChIInChI=1S/C14H10BrClF2/c15-12-5-3-11(4-6-12)14(17,18)9-10-1-7-13(16)8-2-10/h1-8H,9H2
InChIKeyNCZXZSRHWXAPAP-UHFFFAOYSA-N
MW331.59 g/mol
LogP5.44
Rot. Bonds3

About 1-bromo-4-[2-(4-chlorophenyl)-1,1-difluoroethyl]benzene

1-bromo-4-[2-(4-chlorophenyl)-1,1-difluoroethyl]benzene (PubChem CID 126619244) has the molecular formula C14H10BrClF2 and a molecular weight of 331.59 g/mol. Its IUPAC name is 1-bromo-4-[2-(4-chlorophenyl)-1,1-difluoroethyl]benzene.

Molecular Properties

Compound Name1-bromo-4-[2-(4-chlorophenyl)-1,1-difluoroethyl]benzene
PubChem CID126619244
Molecular FormulaC14H10BrClF2
Molecular Weight331.59 g/mol
Exact Mass329.96
IUPAC Name1-bromo-4-[2-(4-chlorophenyl)-1,1-difluoroethyl]benzene
SMILESFC(F)(Cc1ccc(Cl)cc1)c1ccc(Br)cc1
InChIInChI=1S/C14H10BrClF2/c15-12-5-3-11(4-6-12)14(17,18)9-10-1-7-13(16)8-2-10/h1-8H,9H2
InChIKeyNCZXZSRHWXAPAP-UHFFFAOYSA-N
XLogP5.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.59
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-Bromo-4'-chloro-1,1'-biphenyl
CID 12939405
2-Bromo-2'-chloro-1,1'-biphenyl
CID 13614018
4-Bromo-4'-chloro-1,1'-biphenyl
CID 2756876
Benzene, 1,1'-(bromomethylene)bis(4chloro-
CID 95197
1-(1-Bromo-2,2,2-trifluoro-ethyl)-4-chloro-benzene
CID 11161644
Bis(4-chlorophenyl)difluoromethane
CID 10967670
1-Bromo-4-(difluoro(phenyl)methyl)benzene
CID 11403327
1-Chloro-4-[difluoro(phenyl)methyl]benzene
CID 15643484
1-(2-Bromophenyl)-4-chloro-2-fluorobenzene
CID 134938972
4-Bromo-4'-chloro-2-fluoro-1,1'-biphenyl
CID 19042620
1-Bromo-2-chloro-4-(difluoromethyl)benzene
CID 56965490
2-Bromo-1-chloro-4-(difluoromethyl)benzene
CID 56965491

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[2-(4-chlorophenyl)-1,1-difluoroethyl]benzene?
The IUPAC name of 1-bromo-4-[2-(4-chlorophenyl)-1,1-difluoroethyl]benzene (CID 126619244) is 1-bromo-4-[2-(4-chlorophenyl)-1,1-difluoroethyl]benzene.
What is the SMILES notation for 1-bromo-4-[2-(4-chlorophenyl)-1,1-difluoroethyl]benzene?
The canonical SMILES for 1-bromo-4-[2-(4-chlorophenyl)-1,1-difluoroethyl]benzene is FC(F)(Cc1ccc(Cl)cc1)c1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-[2-(4-chlorophenyl)-1,1-difluoroethyl]benzene?
The InChIKey is NCZXZSRHWXAPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClF2/c15-12-5-3-11(4-6-12)14(17,18)9-10-1-7-13(16)8-2-10/h1-8H,9H2.
What are the key properties of 1-bromo-4-[2-(4-chlorophenyl)-1,1-difluoroethyl]benzene?
1-bromo-4-[2-(4-chlorophenyl)-1,1-difluoroethyl]benzene has a molecular weight of 331.59 g/mol, XLogP of 5.44, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[2-(4-chlorophenyl)-1,1-difluoroethyl]benzene is sourced from PubChem (CID 126619244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).