1-bromo-3-(difluoromethyl)benzene

C7H5BrF2 — CID 2769675

IUPAC1-bromo-3-(difluoromethyl)benzene
SMILESFC(F)c1cccc(Br)c1
InChIInChI=1S/C7H5BrF2/c8-6-3-1-2-5(4-6)7(9)10/h1-4,7H
InChIKeyUJHIUQWUSQZMOL-UHFFFAOYSA-N
MW207.02 g/mol
LogP3.39
Rot. Bonds1

About 1-bromo-3-(difluoromethyl)benzene

1-bromo-3-(difluoromethyl)benzene (PubChem CID 2769675) has the molecular formula C7H5BrF2 and a molecular weight of 207.02 g/mol. Its IUPAC name is 1-bromo-3-(difluoromethyl)benzene.

Molecular Properties

Compound Name1-bromo-3-(difluoromethyl)benzene
PubChem CID2769675
Molecular FormulaC7H5BrF2
Molecular Weight207.02 g/mol
Exact Mass205.95
IUPAC Name1-bromo-3-(difluoromethyl)benzene
SMILESFC(F)c1cccc(Br)c1
InChIInChI=1S/C7H5BrF2/c8-6-3-1-2-5(4-6)7(9)10/h1-4,7H
InChIKeyUJHIUQWUSQZMOL-UHFFFAOYSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.02
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(difluoromethyl)benzene?
The IUPAC name of 1-bromo-3-(difluoromethyl)benzene (CID 2769675) is 1-bromo-3-(difluoromethyl)benzene.
What is the SMILES notation for 1-bromo-3-(difluoromethyl)benzene?
The canonical SMILES for 1-bromo-3-(difluoromethyl)benzene is FC(F)c1cccc(Br)c1.
What is the InChIKey of 1-bromo-3-(difluoromethyl)benzene?
The InChIKey is UJHIUQWUSQZMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF2/c8-6-3-1-2-5(4-6)7(9)10/h1-4,7H.
What are the key properties of 1-bromo-3-(difluoromethyl)benzene?
1-bromo-3-(difluoromethyl)benzene has a molecular weight of 207.02 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(difluoromethyl)benzene is sourced from PubChem (CID 2769675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).