1-(bromomethyl)-2,3-difluorobenzene

C7H5BrF2 — CID 517984

IUPAC1-(bromomethyl)-2,3-difluorobenzene
SMILESFc1cccc(CBr)c1F
InChIInChI=1S/C7H5BrF2/c8-4-5-2-1-3-6(9)7(5)10/h1-3H,4H2
InChIKeyFTBSGSZZESQDBM-UHFFFAOYSA-N
MW207.02 g/mol
LogP2.86
Rot. Bonds1

About 1-(bromomethyl)-2,3-difluorobenzene

1-(bromomethyl)-2,3-difluorobenzene (PubChem CID 517984) has the molecular formula C7H5BrF2 and a molecular weight of 207.02 g/mol. Its IUPAC name is 1-(bromomethyl)-2,3-difluorobenzene.

Molecular Properties

Compound Name1-(bromomethyl)-2,3-difluorobenzene
PubChem CID517984
Molecular FormulaC7H5BrF2
Molecular Weight207.02 g/mol
Exact Mass205.95
IUPAC Name1-(bromomethyl)-2,3-difluorobenzene
SMILESFc1cccc(CBr)c1F
InChIInChI=1S/C7H5BrF2/c8-4-5-2-1-3-6(9)7(5)10/h1-3H,4H2
InChIKeyFTBSGSZZESQDBM-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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)-2,3-difluorobenzene?
The IUPAC name of 1-(bromomethyl)-2,3-difluorobenzene (CID 517984) is 1-(bromomethyl)-2,3-difluorobenzene.
What is the SMILES notation for 1-(bromomethyl)-2,3-difluorobenzene?
The canonical SMILES for 1-(bromomethyl)-2,3-difluorobenzene is Fc1cccc(CBr)c1F.
What is the InChIKey of 1-(bromomethyl)-2,3-difluorobenzene?
The InChIKey is FTBSGSZZESQDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF2/c8-4-5-2-1-3-6(9)7(5)10/h1-3H,4H2.
What are the key properties of 1-(bromomethyl)-2,3-difluorobenzene?
1-(bromomethyl)-2,3-difluorobenzene has a molecular weight of 207.02 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-2,3-difluorobenzene is sourced from PubChem (CID 517984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).