1-bromo-2-(difluoromethoxy)benzene

C7H5BrF2O — CID 2737004

IUPAC1-bromo-2-(difluoromethoxy)benzene
SMILESFC(F)Oc1ccccc1Br
InChIInChI=1S/C7H5BrF2O/c8-5-3-1-2-4-6(5)11-7(9)10/h1-4,7H
InChIKeyVHEICCMNYWNFQX-UHFFFAOYSA-N
MW223.02 g/mol
LogP3.05
Rot. Bonds2

About 1-bromo-2-(difluoromethoxy)benzene

1-bromo-2-(difluoromethoxy)benzene (PubChem CID 2737004) has the molecular formula C7H5BrF2O and a molecular weight of 223.02 g/mol. Its IUPAC name is 1-bromo-2-(difluoromethoxy)benzene.

Molecular Properties

Compound Name1-bromo-2-(difluoromethoxy)benzene
PubChem CID2737004
Molecular FormulaC7H5BrF2O
Molecular Weight223.02 g/mol
Exact Mass221.95
IUPAC Name1-bromo-2-(difluoromethoxy)benzene
SMILESFC(F)Oc1ccccc1Br
InChIInChI=1S/C7H5BrF2O/c8-5-3-1-2-4-6(5)11-7(9)10/h1-4,7H
InChIKeyVHEICCMNYWNFQX-UHFFFAOYSA-N
XLogP3.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.02
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(difluoromethoxy)benzene?
The IUPAC name of 1-bromo-2-(difluoromethoxy)benzene (CID 2737004) is 1-bromo-2-(difluoromethoxy)benzene.
What is the SMILES notation for 1-bromo-2-(difluoromethoxy)benzene?
The canonical SMILES for 1-bromo-2-(difluoromethoxy)benzene is FC(F)Oc1ccccc1Br.
What is the InChIKey of 1-bromo-2-(difluoromethoxy)benzene?
The InChIKey is VHEICCMNYWNFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF2O/c8-5-3-1-2-4-6(5)11-7(9)10/h1-4,7H.
What are the key properties of 1-bromo-2-(difluoromethoxy)benzene?
1-bromo-2-(difluoromethoxy)benzene has a molecular weight of 223.02 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(difluoromethoxy)benzene is sourced from PubChem (CID 2737004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).