1-bromo-4-[difluoro(phenyl)methyl]benzene

C13H9BrF2 — CID 11403327

IUPAC1-bromo-4-[difluoro(phenyl)methyl]benzene
SMILESFC(F)(c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C13H9BrF2/c14-12-8-6-11(7-9-12)13(15,16)10-4-2-1-3-5-10/h1-9H
InChIKeyVASYSKDNWCMWPT-UHFFFAOYSA-N
MW283.12 g/mol
LogP4.59
Rot. Bonds2

About 1-bromo-4-[difluoro(phenyl)methyl]benzene

1-bromo-4-[difluoro(phenyl)methyl]benzene (PubChem CID 11403327) has the molecular formula C13H9BrF2 and a molecular weight of 283.12 g/mol. Its IUPAC name is 1-bromo-4-[difluoro(phenyl)methyl]benzene.

Molecular Properties

Compound Name1-bromo-4-[difluoro(phenyl)methyl]benzene
PubChem CID11403327
Molecular FormulaC13H9BrF2
Molecular Weight283.12 g/mol
Exact Mass281.99
IUPAC Name1-bromo-4-[difluoro(phenyl)methyl]benzene
SMILESFC(F)(c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C13H9BrF2/c14-12-8-6-11(7-9-12)13(15,16)10-4-2-1-3-5-10/h1-9H
InChIKeyVASYSKDNWCMWPT-UHFFFAOYSA-N
XLogP4.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[difluoro(phenyl)methyl]benzene?
The IUPAC name of 1-bromo-4-[difluoro(phenyl)methyl]benzene (CID 11403327) is 1-bromo-4-[difluoro(phenyl)methyl]benzene.
What is the SMILES notation for 1-bromo-4-[difluoro(phenyl)methyl]benzene?
The canonical SMILES for 1-bromo-4-[difluoro(phenyl)methyl]benzene is FC(F)(c1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-[difluoro(phenyl)methyl]benzene?
The InChIKey is VASYSKDNWCMWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF2/c14-12-8-6-11(7-9-12)13(15,16)10-4-2-1-3-5-10/h1-9H.
What are the key properties of 1-bromo-4-[difluoro(phenyl)methyl]benzene?
1-bromo-4-[difluoro(phenyl)methyl]benzene has a molecular weight of 283.12 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[difluoro(phenyl)methyl]benzene is sourced from PubChem (CID 11403327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).