(E)-1-cyclopropyl-4,4-difluoro-N,3-dimethyl-4-phosphanylbut-2-en-1-imine

C9H14F2NP — CID 177146609

IUPAC(E)-1-cyclopropyl-4,4-difluoro-N,3-dimethyl-4-phosphanylbut-2-en-1-imine
SMILESC/N=C(/C=C(\C)C(F)(F)P)C1CC1
InChIInChI=1S/C9H14F2NP/c1-6(9(10,11)13)5-8(12-2)7-3-4-7/h5,7H,3-4,13H2,1-2H3/b6-5+,12-8-
InChIKeyGAYNOPKGEVISMW-ZHDSEDTHSA-N
MW205.19 g/mol
LogP2.88
Rot. Bonds3

About (E)-1-cyclopropyl-4,4-difluoro-N,3-dimethyl-4-phosphanylbut-2-en-1-imine

(E)-1-cyclopropyl-4,4-difluoro-N,3-dimethyl-4-phosphanylbut-2-en-1-imine (PubChem CID 177146609) has the molecular formula C9H14F2NP and a molecular weight of 205.19 g/mol. Its IUPAC name is (E)-1-cyclopropyl-4,4-difluoro-N,3-dimethyl-4-phosphanylbut-2-en-1-imine.

Molecular Properties

Compound Name(E)-1-cyclopropyl-4,4-difluoro-N,3-dimethyl-4-phosphanylbut-2-en-1-imine
PubChem CID177146609
Molecular FormulaC9H14F2NP
Molecular Weight205.19 g/mol
Exact Mass205.08
IUPAC Name(E)-1-cyclopropyl-4,4-difluoro-N,3-dimethyl-4-phosphanylbut-2-en-1-imine
SMILESC/N=C(/C=C(\C)C(F)(F)P)C1CC1
InChIInChI=1S/C9H14F2NP/c1-6(9(10,11)13)5-8(12-2)7-3-4-7/h5,7H,3-4,13H2,1-2H3/b6-5+,12-8-
InChIKeyGAYNOPKGEVISMW-ZHDSEDTHSA-N
XLogP2.88
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.19
LogP ≤ 52.88
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 (E)-1-cyclopropyl-4,4-difluoro-N,3-dimethyl-4-phosphanylbut-2-en-1-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 (E)-1-cyclopropyl-4,4-difluoro-N,3-dimethyl-4-phosphanylbut-2-en-1-imine?
The IUPAC name of (E)-1-cyclopropyl-4,4-difluoro-N,3-dimethyl-4-phosphanylbut-2-en-1-imine (CID 177146609) is (E)-1-cyclopropyl-4,4-difluoro-N,3-dimethyl-4-phosphanylbut-2-en-1-imine.
What is the SMILES notation for (E)-1-cyclopropyl-4,4-difluoro-N,3-dimethyl-4-phosphanylbut-2-en-1-imine?
The canonical SMILES for (E)-1-cyclopropyl-4,4-difluoro-N,3-dimethyl-4-phosphanylbut-2-en-1-imine is C/N=C(/C=C(\C)C(F)(F)P)C1CC1.
What is the InChIKey of (E)-1-cyclopropyl-4,4-difluoro-N,3-dimethyl-4-phosphanylbut-2-en-1-imine?
The InChIKey is GAYNOPKGEVISMW-ZHDSEDTHSA-N. The full InChI is InChI=1S/C9H14F2NP/c1-6(9(10,11)13)5-8(12-2)7-3-4-7/h5,7H,3-4,13H2,1-2H3/b6-5+,12-8-.
What are the key properties of (E)-1-cyclopropyl-4,4-difluoro-N,3-dimethyl-4-phosphanylbut-2-en-1-imine?
(E)-1-cyclopropyl-4,4-difluoro-N,3-dimethyl-4-phosphanylbut-2-en-1-imine has a molecular weight of 205.19 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-cyclopropyl-4,4-difluoro-N,3-dimethyl-4-phosphanylbut-2-en-1-imine is sourced from PubChem (CID 177146609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).