N-[(E)-3-fluoro-2-phosphanylprop-1-enyl]butan-2-imine

C7H13FNP — CID 138660737

IUPACN-[(E)-3-fluoro-2-phosphanylprop-1-enyl]butan-2-imine
SMILESCC/C(C)=N/C=C(/P)CF
InChIInChI=1S/C7H13FNP/c1-3-6(2)9-5-7(10)4-8/h5H,3-4,10H2,1-2H3/b7-5+,9-6+
InChIKeyMOEQPTDLRBXZLN-PDTNFJSOSA-N
MW161.16 g/mol
LogP2.54
Rot. Bonds3

About N-[(E)-3-fluoro-2-phosphanylprop-1-enyl]butan-2-imine

N-[(E)-3-fluoro-2-phosphanylprop-1-enyl]butan-2-imine (PubChem CID 138660737) has the molecular formula C7H13FNP and a molecular weight of 161.16 g/mol. Its IUPAC name is N-[(E)-3-fluoro-2-phosphanylprop-1-enyl]butan-2-imine.

Molecular Properties

Compound NameN-[(E)-3-fluoro-2-phosphanylprop-1-enyl]butan-2-imine
PubChem CID138660737
Molecular FormulaC7H13FNP
Molecular Weight161.16 g/mol
Exact Mass161.08
IUPAC NameN-[(E)-3-fluoro-2-phosphanylprop-1-enyl]butan-2-imine
SMILESCC/C(C)=N/C=C(/P)CF
InChIInChI=1S/C7H13FNP/c1-3-6(2)9-5-7(10)4-8/h5H,3-4,10H2,1-2H3/b7-5+,9-6+
InChIKeyMOEQPTDLRBXZLN-PDTNFJSOSA-N
XLogP2.54
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze N-[(E)-3-fluoro-2-phosphanylprop-1-enyl]butan-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-fluoro-2-phosphanylprop-1-enyl]butan-2-imine?
The IUPAC name of N-[(E)-3-fluoro-2-phosphanylprop-1-enyl]butan-2-imine (CID 138660737) is N-[(E)-3-fluoro-2-phosphanylprop-1-enyl]butan-2-imine.
What is the SMILES notation for N-[(E)-3-fluoro-2-phosphanylprop-1-enyl]butan-2-imine?
The canonical SMILES for N-[(E)-3-fluoro-2-phosphanylprop-1-enyl]butan-2-imine is CC/C(C)=N/C=C(/P)CF.
What is the InChIKey of N-[(E)-3-fluoro-2-phosphanylprop-1-enyl]butan-2-imine?
The InChIKey is MOEQPTDLRBXZLN-PDTNFJSOSA-N. The full InChI is InChI=1S/C7H13FNP/c1-3-6(2)9-5-7(10)4-8/h5H,3-4,10H2,1-2H3/b7-5+,9-6+.
What are the key properties of N-[(E)-3-fluoro-2-phosphanylprop-1-enyl]butan-2-imine?
N-[(E)-3-fluoro-2-phosphanylprop-1-enyl]butan-2-imine has a molecular weight of 161.16 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-fluoro-2-phosphanylprop-1-enyl]butan-2-imine is sourced from PubChem (CID 138660737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).