bromo(furan-2-yl)phosphane;N-methylpropan-1-amine

C8H15BrNOP — CID 142092222

IUPACbromo(furan-2-yl)phosphane;N-methylpropan-1-amine
SMILESBrPc1ccco1.CCCNC
InChIInChI=1S/C4H4BrOP.C4H11N/c5-7-4-2-1-3-6-4;1-3-4-5-2/h1-3,7H;5H,3-4H2,1-2H3
InChIKeyZCFFUMLLBWEVOT-UHFFFAOYSA-N
MW252.09 g/mol
LogP2.51
Rot. Bonds3

About bromo(furan-2-yl)phosphane;N-methylpropan-1-amine

bromo(furan-2-yl)phosphane;N-methylpropan-1-amine (PubChem CID 142092222) has the molecular formula C8H15BrNOP and a molecular weight of 252.09 g/mol. Its IUPAC name is bromo(furan-2-yl)phosphane;N-methylpropan-1-amine.

Molecular Properties

Compound Namebromo(furan-2-yl)phosphane;N-methylpropan-1-amine
PubChem CID142092222
Molecular FormulaC8H15BrNOP
Molecular Weight252.09 g/mol
Exact Mass251.01
IUPAC Namebromo(furan-2-yl)phosphane;N-methylpropan-1-amine
SMILESBrPc1ccco1.CCCNC
InChIInChI=1S/C4H4BrOP.C4H11N/c5-7-4-2-1-3-6-4;1-3-4-5-2/h1-3,7H;5H,3-4H2,1-2H3
InChIKeyZCFFUMLLBWEVOT-UHFFFAOYSA-N
XLogP2.51
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.09
LogP ≤ 52.51
H-Bond Donors ≤ 51
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 bromo(furan-2-yl)phosphane;N-methylpropan-1-amine?
The IUPAC name of bromo(furan-2-yl)phosphane;N-methylpropan-1-amine (CID 142092222) is bromo(furan-2-yl)phosphane;N-methylpropan-1-amine.
What is the SMILES notation for bromo(furan-2-yl)phosphane;N-methylpropan-1-amine?
The canonical SMILES for bromo(furan-2-yl)phosphane;N-methylpropan-1-amine is BrPc1ccco1.CCCNC.
What is the InChIKey of bromo(furan-2-yl)phosphane;N-methylpropan-1-amine?
The InChIKey is ZCFFUMLLBWEVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4BrOP.C4H11N/c5-7-4-2-1-3-6-4;1-3-4-5-2/h1-3,7H;5H,3-4H2,1-2H3.
What are the key properties of bromo(furan-2-yl)phosphane;N-methylpropan-1-amine?
bromo(furan-2-yl)phosphane;N-methylpropan-1-amine has a molecular weight of 252.09 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bromo(furan-2-yl)phosphane;N-methylpropan-1-amine is sourced from PubChem (CID 142092222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).