[2,2-dichloro-1-[(2-fluoroacetyl)amino]ethenyl]-triphenylphosphanium

C22H18Cl2FNOP+ — CID 3366130

IUPAC[2,2-dichloro-1-[(2-fluoroacetyl)amino]ethenyl]-triphenylphosphanium
SMILESO=C(CF)NC(=C(Cl)Cl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H17Cl2FNOP/c23-21(24)22(26-20(27)16-25)28(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16H2/p+1
InChIKeyCVNPUKWHHNUGHQ-UHFFFAOYSA-O
MW433.27 g/mol
LogP4.67
Rot. Bonds6

About [2,2-dichloro-1-[(2-fluoroacetyl)amino]ethenyl]-triphenylphosphanium

[2,2-dichloro-1-[(2-fluoroacetyl)amino]ethenyl]-triphenylphosphanium (PubChem CID 3366130) has the molecular formula C22H18Cl2FNOP+ and a molecular weight of 433.27 g/mol. Its IUPAC name is [2,2-dichloro-1-[(2-fluoroacetyl)amino]ethenyl]-triphenylphosphanium.

Molecular Properties

Compound Name[2,2-dichloro-1-[(2-fluoroacetyl)amino]ethenyl]-triphenylphosphanium
PubChem CID3366130
Molecular FormulaC22H18Cl2FNOP+
Molecular Weight433.27 g/mol
Exact Mass432.05
IUPAC Name[2,2-dichloro-1-[(2-fluoroacetyl)amino]ethenyl]-triphenylphosphanium
SMILESO=C(CF)NC(=C(Cl)Cl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H17Cl2FNOP/c23-21(24)22(26-20(27)16-25)28(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16H2/p+1
InChIKeyCVNPUKWHHNUGHQ-UHFFFAOYSA-O
XLogP4.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.27
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2,2-dichloro-1-[(2-fluoroacetyl)amino]ethenyl]-triphenylphosphanium?
The IUPAC name of [2,2-dichloro-1-[(2-fluoroacetyl)amino]ethenyl]-triphenylphosphanium (CID 3366130) is [2,2-dichloro-1-[(2-fluoroacetyl)amino]ethenyl]-triphenylphosphanium.
What is the SMILES notation for [2,2-dichloro-1-[(2-fluoroacetyl)amino]ethenyl]-triphenylphosphanium?
The canonical SMILES for [2,2-dichloro-1-[(2-fluoroacetyl)amino]ethenyl]-triphenylphosphanium is O=C(CF)NC(=C(Cl)Cl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [2,2-dichloro-1-[(2-fluoroacetyl)amino]ethenyl]-triphenylphosphanium?
The InChIKey is CVNPUKWHHNUGHQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H17Cl2FNOP/c23-21(24)22(26-20(27)16-25)28(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16H2/p+1.
What are the key properties of [2,2-dichloro-1-[(2-fluoroacetyl)amino]ethenyl]-triphenylphosphanium?
[2,2-dichloro-1-[(2-fluoroacetyl)amino]ethenyl]-triphenylphosphanium has a molecular weight of 433.27 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-dichloro-1-[(2-fluoroacetyl)amino]ethenyl]-triphenylphosphanium is sourced from PubChem (CID 3366130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).