(Z)-2-fluoro-N-[(E)-3-fluorobut-1-enyl]-2-phosphanylhex-4-en-3-imine

C10H16F2NP — CID 170076206

IUPAC(Z)-2-fluoro-N-[(E)-3-fluorobut-1-enyl]-2-phosphanylhex-4-en-3-imine
SMILESC/C=C\C(=N\C=C\C(C)F)C(C)(F)P
InChIInChI=1S/C10H16F2NP/c1-4-5-9(10(3,12)14)13-7-6-8(2)11/h4-8H,14H2,1-3H3/b5-4-,7-6+,13-9-
InChIKeyKTQUNJGOZUJEEC-RIMZFTKUSA-N
MW219.22 g/mol
LogP3.44
Rot. Bonds4

About (Z)-2-fluoro-N-[(E)-3-fluorobut-1-enyl]-2-phosphanylhex-4-en-3-imine

(Z)-2-fluoro-N-[(E)-3-fluorobut-1-enyl]-2-phosphanylhex-4-en-3-imine (PubChem CID 170076206) has the molecular formula C10H16F2NP and a molecular weight of 219.22 g/mol. Its IUPAC name is (Z)-2-fluoro-N-[(E)-3-fluorobut-1-enyl]-2-phosphanylhex-4-en-3-imine.

Molecular Properties

Compound Name(Z)-2-fluoro-N-[(E)-3-fluorobut-1-enyl]-2-phosphanylhex-4-en-3-imine
PubChem CID170076206
Molecular FormulaC10H16F2NP
Molecular Weight219.22 g/mol
Exact Mass219.10
IUPAC Name(Z)-2-fluoro-N-[(E)-3-fluorobut-1-enyl]-2-phosphanylhex-4-en-3-imine
SMILESC/C=C\C(=N\C=C\C(C)F)C(C)(F)P
InChIInChI=1S/C10H16F2NP/c1-4-5-9(10(3,12)14)13-7-6-8(2)11/h4-8H,14H2,1-3H3/b5-4-,7-6+,13-9-
InChIKeyKTQUNJGOZUJEEC-RIMZFTKUSA-N
XLogP3.44
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 53.44
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 (Z)-2-fluoro-N-[(E)-3-fluorobut-1-enyl]-2-phosphanylhex-4-en-3-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 (Z)-2-fluoro-N-[(E)-3-fluorobut-1-enyl]-2-phosphanylhex-4-en-3-imine?
The IUPAC name of (Z)-2-fluoro-N-[(E)-3-fluorobut-1-enyl]-2-phosphanylhex-4-en-3-imine (CID 170076206) is (Z)-2-fluoro-N-[(E)-3-fluorobut-1-enyl]-2-phosphanylhex-4-en-3-imine.
What is the SMILES notation for (Z)-2-fluoro-N-[(E)-3-fluorobut-1-enyl]-2-phosphanylhex-4-en-3-imine?
The canonical SMILES for (Z)-2-fluoro-N-[(E)-3-fluorobut-1-enyl]-2-phosphanylhex-4-en-3-imine is C/C=C\C(=N\C=C\C(C)F)C(C)(F)P.
What is the InChIKey of (Z)-2-fluoro-N-[(E)-3-fluorobut-1-enyl]-2-phosphanylhex-4-en-3-imine?
The InChIKey is KTQUNJGOZUJEEC-RIMZFTKUSA-N. The full InChI is InChI=1S/C10H16F2NP/c1-4-5-9(10(3,12)14)13-7-6-8(2)11/h4-8H,14H2,1-3H3/b5-4-,7-6+,13-9-.
What are the key properties of (Z)-2-fluoro-N-[(E)-3-fluorobut-1-enyl]-2-phosphanylhex-4-en-3-imine?
(Z)-2-fluoro-N-[(E)-3-fluorobut-1-enyl]-2-phosphanylhex-4-en-3-imine has a molecular weight of 219.22 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-fluoro-N-[(E)-3-fluorobut-1-enyl]-2-phosphanylhex-4-en-3-imine is sourced from PubChem (CID 170076206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).