1-(bromomethyl)-2-(difluoromethoxy)benzene

C8H7BrF2O — CID 2736998

IUPAC1-(bromomethyl)-2-(difluoromethoxy)benzene
SMILESFC(F)Oc1ccccc1CBr
InChIInChI=1S/C8H7BrF2O/c9-5-6-3-1-2-4-7(6)12-8(10)11/h1-4,8H,5H2
InChIKeyJSYYKHKAGPBIHF-UHFFFAOYSA-N
MW237.04 g/mol
LogP3.18
Rot. Bonds3

About 1-(bromomethyl)-2-(difluoromethoxy)benzene

1-(bromomethyl)-2-(difluoromethoxy)benzene (PubChem CID 2736998) has the molecular formula C8H7BrF2O and a molecular weight of 237.04 g/mol. Its IUPAC name is 1-(bromomethyl)-2-(difluoromethoxy)benzene.

Molecular Properties

Compound Name1-(bromomethyl)-2-(difluoromethoxy)benzene
PubChem CID2736998
Molecular FormulaC8H7BrF2O
Molecular Weight237.04 g/mol
Exact Mass235.96
IUPAC Name1-(bromomethyl)-2-(difluoromethoxy)benzene
SMILESFC(F)Oc1ccccc1CBr
InChIInChI=1S/C8H7BrF2O/c9-5-6-3-1-2-4-7(6)12-8(10)11/h1-4,8H,5H2
InChIKeyJSYYKHKAGPBIHF-UHFFFAOYSA-N
XLogP3.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.04
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-2-(difluoromethoxy)benzene?
The IUPAC name of 1-(bromomethyl)-2-(difluoromethoxy)benzene (CID 2736998) is 1-(bromomethyl)-2-(difluoromethoxy)benzene.
What is the SMILES notation for 1-(bromomethyl)-2-(difluoromethoxy)benzene?
The canonical SMILES for 1-(bromomethyl)-2-(difluoromethoxy)benzene is FC(F)Oc1ccccc1CBr.
What is the InChIKey of 1-(bromomethyl)-2-(difluoromethoxy)benzene?
The InChIKey is JSYYKHKAGPBIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF2O/c9-5-6-3-1-2-4-7(6)12-8(10)11/h1-4,8H,5H2.
What are the key properties of 1-(bromomethyl)-2-(difluoromethoxy)benzene?
1-(bromomethyl)-2-(difluoromethoxy)benzene has a molecular weight of 237.04 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-2-(difluoromethoxy)benzene is sourced from PubChem (CID 2736998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).