5-(bromomethylidene)furan-2-one;phosphane

C5H6BrO2P — CID 158126201

IUPAC5-(bromomethylidene)furan-2-one;phosphane
SMILESO=C1C=CC(=CBr)O1.P
InChIInChI=1S/C5H3BrO2.H3P/c6-3-4-1-2-5(7)8-4;/h1-3H;1H3
InChIKeyYUPSOGLOWWQZEI-UHFFFAOYSA-N
MW208.98 g/mol
LogP1.39
Rot. Bonds

About 5-(bromomethylidene)furan-2-one;phosphane

5-(bromomethylidene)furan-2-one;phosphane (PubChem CID 158126201) has the molecular formula C5H6BrO2P and a molecular weight of 208.98 g/mol. Its IUPAC name is 5-(bromomethylidene)furan-2-one;phosphane.

Molecular Properties

Compound Name5-(bromomethylidene)furan-2-one;phosphane
PubChem CID158126201
Molecular FormulaC5H6BrO2P
Molecular Weight208.98 g/mol
Exact Mass207.93
IUPAC Name5-(bromomethylidene)furan-2-one;phosphane
SMILESO=C1C=CC(=CBr)O1.P
InChIInChI=1S/C5H3BrO2.H3P/c6-3-4-1-2-5(7)8-4;/h1-3H;1H3
InChIKeyYUPSOGLOWWQZEI-UHFFFAOYSA-N
XLogP1.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.98
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(bromomethylidene)furan-2-one;phosphane?
The IUPAC name of 5-(bromomethylidene)furan-2-one;phosphane (CID 158126201) is 5-(bromomethylidene)furan-2-one;phosphane.
What is the SMILES notation for 5-(bromomethylidene)furan-2-one;phosphane?
The canonical SMILES for 5-(bromomethylidene)furan-2-one;phosphane is O=C1C=CC(=CBr)O1.P.
What is the InChIKey of 5-(bromomethylidene)furan-2-one;phosphane?
The InChIKey is YUPSOGLOWWQZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrO2.H3P/c6-3-4-1-2-5(7)8-4;/h1-3H;1H3.
What are the key properties of 5-(bromomethylidene)furan-2-one;phosphane?
5-(bromomethylidene)furan-2-one;phosphane has a molecular weight of 208.98 g/mol, XLogP of 1.39, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethylidene)furan-2-one;phosphane is sourced from PubChem (CID 158126201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).