[(Z)-2-[di(propan-2-yl)amino]-2-fluoroethenyl]-triphenylphosphanium

C26H30FNP+ — CID 11261430

IUPAC[(Z)-2-[di(propan-2-yl)amino]-2-fluoroethenyl]-triphenylphosphanium
SMILESCC(C)N(/C(F)=C/[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(C)C
InChIInChI=1S/C26H30FNP/c1-21(2)28(22(3)4)26(27)20-29(23-14-8-5-9-15-23,24-16-10-6-11-17-24)25-18-12-7-13-19-25/h5-22H,1-4H3/q+1/b26-20+
InChIKeyDFFBIZLIDZXROV-LHLOQNFPSA-N
MW406.50 g/mol
LogP5.87
Rot. Bonds7

About [(Z)-2-[di(propan-2-yl)amino]-2-fluoroethenyl]-triphenylphosphanium

[(Z)-2-[di(propan-2-yl)amino]-2-fluoroethenyl]-triphenylphosphanium (PubChem CID 11261430) has the molecular formula C26H30FNP+ and a molecular weight of 406.50 g/mol. Its IUPAC name is [(Z)-2-[di(propan-2-yl)amino]-2-fluoroethenyl]-triphenylphosphanium.

Molecular Properties

Compound Name[(Z)-2-[di(propan-2-yl)amino]-2-fluoroethenyl]-triphenylphosphanium
PubChem CID11261430
Molecular FormulaC26H30FNP+
Molecular Weight406.50 g/mol
Exact Mass406.21
IUPAC Name[(Z)-2-[di(propan-2-yl)amino]-2-fluoroethenyl]-triphenylphosphanium
SMILESCC(C)N(/C(F)=C/[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(C)C
InChIInChI=1S/C26H30FNP/c1-21(2)28(22(3)4)26(27)20-29(23-14-8-5-9-15-23,24-16-10-6-11-17-24)25-18-12-7-13-19-25/h5-22H,1-4H3/q+1/b26-20+
InChIKeyDFFBIZLIDZXROV-LHLOQNFPSA-N
XLogP5.87
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.50
LogP ≤ 55.87
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-[di(propan-2-yl)amino]-2-fluoroethenyl]-triphenylphosphanium?
The IUPAC name of [(Z)-2-[di(propan-2-yl)amino]-2-fluoroethenyl]-triphenylphosphanium (CID 11261430) is [(Z)-2-[di(propan-2-yl)amino]-2-fluoroethenyl]-triphenylphosphanium.
What is the SMILES notation for [(Z)-2-[di(propan-2-yl)amino]-2-fluoroethenyl]-triphenylphosphanium?
The canonical SMILES for [(Z)-2-[di(propan-2-yl)amino]-2-fluoroethenyl]-triphenylphosphanium is CC(C)N(/C(F)=C/[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(C)C.
What is the InChIKey of [(Z)-2-[di(propan-2-yl)amino]-2-fluoroethenyl]-triphenylphosphanium?
The InChIKey is DFFBIZLIDZXROV-LHLOQNFPSA-N. The full InChI is InChI=1S/C26H30FNP/c1-21(2)28(22(3)4)26(27)20-29(23-14-8-5-9-15-23,24-16-10-6-11-17-24)25-18-12-7-13-19-25/h5-22H,1-4H3/q+1/b26-20+.
What are the key properties of [(Z)-2-[di(propan-2-yl)amino]-2-fluoroethenyl]-triphenylphosphanium?
[(Z)-2-[di(propan-2-yl)amino]-2-fluoroethenyl]-triphenylphosphanium has a molecular weight of 406.50 g/mol, XLogP of 5.87, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-[di(propan-2-yl)amino]-2-fluoroethenyl]-triphenylphosphanium is sourced from PubChem (CID 11261430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).