(E)-N-diphenylphosphinothioyl-1-(4-fluorophenyl)ethanimine

C20H17FNPS — CID 71528482

IUPAC(E)-N-diphenylphosphinothioyl-1-(4-fluorophenyl)ethanimine
SMILESC/C(=N\P(=S)(c1ccccc1)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C20H17FNPS/c1-16(17-12-14-18(21)15-13-17)22-23(24,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15H,1H3/b22-16+
InChIKeyWQOZRMLTECSLNX-CJLVFECKSA-N
MW353.40 g/mol
LogP4.68
Rot. Bonds4

About (E)-N-diphenylphosphinothioyl-1-(4-fluorophenyl)ethanimine

(E)-N-diphenylphosphinothioyl-1-(4-fluorophenyl)ethanimine (PubChem CID 71528482) has the molecular formula C20H17FNPS and a molecular weight of 353.40 g/mol. Its IUPAC name is (E)-N-diphenylphosphinothioyl-1-(4-fluorophenyl)ethanimine.

Molecular Properties

Compound Name(E)-N-diphenylphosphinothioyl-1-(4-fluorophenyl)ethanimine
PubChem CID71528482
Molecular FormulaC20H17FNPS
Molecular Weight353.40 g/mol
Exact Mass353.08
IUPAC Name(E)-N-diphenylphosphinothioyl-1-(4-fluorophenyl)ethanimine
SMILESC/C(=N\P(=S)(c1ccccc1)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C20H17FNPS/c1-16(17-12-14-18(21)15-13-17)22-23(24,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15H,1H3/b22-16+
InChIKeyWQOZRMLTECSLNX-CJLVFECKSA-N
XLogP4.68
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 54.68
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'}

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Related Compounds

(E)-N-diphenylphosphinothioyl-4-methylpentan-2-imine
CID 135073200
(E)-N-diphenylphosphinothioyl-4-phenylbutan-2-imine
CID 135072310
N-[(E)-1,2-diphenylethenyl]-1-(4-fluorophenyl)ethanimine
CID 122389221
3-diphenylphosphinothioyl-1-(4-fluorophenyl)propan-1-one
CID 69333878
[1-(4-fluorophenyl)ethylideneamino]-trimethylazanium
CID 3943522
N-[(Z)-1-(4-fluorophenyl)ethylideneamino]pyridin-2-amine
CID 6145584
1-fluoro-4-[2-(4-fluorophenyl)-1,2-diphenylethenyl]benzene
CID 71376552
1-[(Z)-1-(4-fluorophenyl)ethylideneamino]-3-phenylurea
CID 9241529
[(E)-1-(4-fluorophenyl)ethylideneamino]thiourea
CID 5397680
N-(3-fluorophenyl)-1-(4-fluorophenyl)ethanimine
CID 139246224
fluorobenzene;N-propan-2-ylidenehydroxylamine
CID 174410539
N-[1-(4-fluorophenyl)ethylideneamino]-2,2-diphenylacetamide
CID 827608

Frequently Asked Questions

What is the IUPAC name of (E)-N-diphenylphosphinothioyl-1-(4-fluorophenyl)ethanimine?
The IUPAC name of (E)-N-diphenylphosphinothioyl-1-(4-fluorophenyl)ethanimine (CID 71528482) is (E)-N-diphenylphosphinothioyl-1-(4-fluorophenyl)ethanimine.
What is the SMILES notation for (E)-N-diphenylphosphinothioyl-1-(4-fluorophenyl)ethanimine?
The canonical SMILES for (E)-N-diphenylphosphinothioyl-1-(4-fluorophenyl)ethanimine is C/C(=N\P(=S)(c1ccccc1)c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of (E)-N-diphenylphosphinothioyl-1-(4-fluorophenyl)ethanimine?
The InChIKey is WQOZRMLTECSLNX-CJLVFECKSA-N. The full InChI is InChI=1S/C20H17FNPS/c1-16(17-12-14-18(21)15-13-17)22-23(24,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15H,1H3/b22-16+.
What are the key properties of (E)-N-diphenylphosphinothioyl-1-(4-fluorophenyl)ethanimine?
(E)-N-diphenylphosphinothioyl-1-(4-fluorophenyl)ethanimine has a molecular weight of 353.40 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-diphenylphosphinothioyl-1-(4-fluorophenyl)ethanimine is sourced from PubChem (CID 71528482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).