(3-bromo-2-fluorophenyl)-methylphosphane

C7H7BrFP — CID 139440550

IUPAC(3-bromo-2-fluorophenyl)-methylphosphane
SMILESCPc1cccc(Br)c1F
InChIInChI=1S/C7H7BrFP/c1-10-6-4-2-3-5(8)7(6)9/h2-4,10H,1H3
InChIKeyWPCHOFNQNOPRBI-UHFFFAOYSA-N
MW221.01 g/mol
LogP2.52
Rot. Bonds1

About (3-bromo-2-fluorophenyl)-methylphosphane

(3-bromo-2-fluorophenyl)-methylphosphane (PubChem CID 139440550) has the molecular formula C7H7BrFP and a molecular weight of 221.01 g/mol. Its IUPAC name is (3-bromo-2-fluorophenyl)-methylphosphane.

Molecular Properties

Compound Name(3-bromo-2-fluorophenyl)-methylphosphane
PubChem CID139440550
Molecular FormulaC7H7BrFP
Molecular Weight221.01 g/mol
Exact Mass219.95
IUPAC Name(3-bromo-2-fluorophenyl)-methylphosphane
SMILESCPc1cccc(Br)c1F
InChIInChI=1S/C7H7BrFP/c1-10-6-4-2-3-5(8)7(6)9/h2-4,10H,1H3
InChIKeyWPCHOFNQNOPRBI-UHFFFAOYSA-N
XLogP2.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.01
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-fluorophenyl)-methylphosphane?
The IUPAC name of (3-bromo-2-fluorophenyl)-methylphosphane (CID 139440550) is (3-bromo-2-fluorophenyl)-methylphosphane.
What is the SMILES notation for (3-bromo-2-fluorophenyl)-methylphosphane?
The canonical SMILES for (3-bromo-2-fluorophenyl)-methylphosphane is CPc1cccc(Br)c1F.
What is the InChIKey of (3-bromo-2-fluorophenyl)-methylphosphane?
The InChIKey is WPCHOFNQNOPRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrFP/c1-10-6-4-2-3-5(8)7(6)9/h2-4,10H,1H3.
What are the key properties of (3-bromo-2-fluorophenyl)-methylphosphane?
(3-bromo-2-fluorophenyl)-methylphosphane has a molecular weight of 221.01 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-fluorophenyl)-methylphosphane is sourced from PubChem (CID 139440550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).