[(Z)-2-(diethylamino)-2-fluoroethenyl]-triphenylphosphanium

C24H26FNP+ — CID 11432507

IUPAC[(Z)-2-(diethylamino)-2-fluoroethenyl]-triphenylphosphanium
SMILESCCN(CC)/C(F)=C/[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H26FNP/c1-3-26(4-2)24(25)20-27(21-14-8-5-9-15-21,22-16-10-6-11-17-22)23-18-12-7-13-19-23/h5-20H,3-4H2,1-2H3/q+1/b24-20+
InChIKeyLSALKIKAGRHHSE-HIXSDJFHSA-N
MW378.45 g/mol
LogP5.09
Rot. Bonds7

About [(Z)-2-(diethylamino)-2-fluoroethenyl]-triphenylphosphanium

[(Z)-2-(diethylamino)-2-fluoroethenyl]-triphenylphosphanium (PubChem CID 11432507) has the molecular formula C24H26FNP+ and a molecular weight of 378.45 g/mol. Its IUPAC name is [(Z)-2-(diethylamino)-2-fluoroethenyl]-triphenylphosphanium.

Molecular Properties

Compound Name[(Z)-2-(diethylamino)-2-fluoroethenyl]-triphenylphosphanium
PubChem CID11432507
Molecular FormulaC24H26FNP+
Molecular Weight378.45 g/mol
Exact Mass378.18
IUPAC Name[(Z)-2-(diethylamino)-2-fluoroethenyl]-triphenylphosphanium
SMILESCCN(CC)/C(F)=C/[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H26FNP/c1-3-26(4-2)24(25)20-27(21-14-8-5-9-15-21,22-16-10-6-11-17-22)23-18-12-7-13-19-23/h5-20H,3-4H2,1-2H3/q+1/b24-20+
InChIKeyLSALKIKAGRHHSE-HIXSDJFHSA-N
XLogP5.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.45
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-2-(diethylamino)-2-fluoroethenyl]-triphenylphosphanium?
The IUPAC name of [(Z)-2-(diethylamino)-2-fluoroethenyl]-triphenylphosphanium (CID 11432507) is [(Z)-2-(diethylamino)-2-fluoroethenyl]-triphenylphosphanium.
What is the SMILES notation for [(Z)-2-(diethylamino)-2-fluoroethenyl]-triphenylphosphanium?
The canonical SMILES for [(Z)-2-(diethylamino)-2-fluoroethenyl]-triphenylphosphanium is CCN(CC)/C(F)=C/[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(Z)-2-(diethylamino)-2-fluoroethenyl]-triphenylphosphanium?
The InChIKey is LSALKIKAGRHHSE-HIXSDJFHSA-N. The full InChI is InChI=1S/C24H26FNP/c1-3-26(4-2)24(25)20-27(21-14-8-5-9-15-21,22-16-10-6-11-17-22)23-18-12-7-13-19-23/h5-20H,3-4H2,1-2H3/q+1/b24-20+.
What are the key properties of [(Z)-2-(diethylamino)-2-fluoroethenyl]-triphenylphosphanium?
[(Z)-2-(diethylamino)-2-fluoroethenyl]-triphenylphosphanium has a molecular weight of 378.45 g/mol, XLogP of 5.09, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-(diethylamino)-2-fluoroethenyl]-triphenylphosphanium is sourced from PubChem (CID 11432507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).