[(Z)-2-fluoro-2-(N-methylanilino)ethenyl]-triphenylphosphanium

C27H24FNP+ — CID 11786312

IUPAC[(Z)-2-fluoro-2-(N-methylanilino)ethenyl]-triphenylphosphanium
SMILESCN(/C(F)=C/[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C27H24FNP/c1-29(23-14-6-2-7-15-23)27(28)22-30(24-16-8-3-9-17-24,25-18-10-4-11-19-25)26-20-12-5-13-21-26/h2-22H,1H3/q+1/b27-22+
InChIKeyCTUNEUUWXYGWLC-HPNDGRJYSA-N
MW412.47 g/mol
LogP5.89
Rot. Bonds6

About [(Z)-2-fluoro-2-(N-methylanilino)ethenyl]-triphenylphosphanium

[(Z)-2-fluoro-2-(N-methylanilino)ethenyl]-triphenylphosphanium (PubChem CID 11786312) has the molecular formula C27H24FNP+ and a molecular weight of 412.47 g/mol. Its IUPAC name is [(Z)-2-fluoro-2-(N-methylanilino)ethenyl]-triphenylphosphanium.

Molecular Properties

Compound Name[(Z)-2-fluoro-2-(N-methylanilino)ethenyl]-triphenylphosphanium
PubChem CID11786312
Molecular FormulaC27H24FNP+
Molecular Weight412.47 g/mol
Exact Mass412.16
IUPAC Name[(Z)-2-fluoro-2-(N-methylanilino)ethenyl]-triphenylphosphanium
SMILESCN(/C(F)=C/[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C27H24FNP/c1-29(23-14-6-2-7-15-23)27(28)22-30(24-16-8-3-9-17-24,25-18-10-4-11-19-25)26-20-12-5-13-21-26/h2-22H,1H3/q+1/b27-22+
InChIKeyCTUNEUUWXYGWLC-HPNDGRJYSA-N
XLogP5.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.47
LogP ≤ 55.89
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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Related Compounds

(Z)-1-(N-phenylanilino)-2-triphenylphosphaniumylethenolate
CID 134876072
[(E)-2-(dimethylamino)ethenyl]-triphenylphosphanium
CID 11079101
triphenyl-[(E)-prop-1-enyl]phosphanium tetrafluoroborate
CID 10894428
N-methyl-N-[(Z)-4-methylpent-2-en-3-yl]aniline
CID 135253845
1,3-dimethyl-1,3-diphenylselenourea
CID 12787621
2,3,3-trifluoro-N-methyl-N-phenylpropanamide
CID 174784767
2,2-bis(ethylsulfanyl)ethenyl-triphenylphosphanium bromide
CID 86040735
[(E)-2-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethenyl]-triphenylphosphanium
CID 170905252
N-hex-2-en-3-yl-N-methylaniline
CID 76766194
(N-methylanilino)-triphenylphosphanium
CID 2828348
formic acid;methyl(phenyl)carbamic acid
CID 161284118
N-methyl-N-[1-(methylideneamino)ethenyl]aniline
CID 166988415

Frequently Asked Questions

What is the IUPAC name of [(Z)-2-fluoro-2-(N-methylanilino)ethenyl]-triphenylphosphanium?
The IUPAC name of [(Z)-2-fluoro-2-(N-methylanilino)ethenyl]-triphenylphosphanium (CID 11786312) is [(Z)-2-fluoro-2-(N-methylanilino)ethenyl]-triphenylphosphanium.
What is the SMILES notation for [(Z)-2-fluoro-2-(N-methylanilino)ethenyl]-triphenylphosphanium?
The canonical SMILES for [(Z)-2-fluoro-2-(N-methylanilino)ethenyl]-triphenylphosphanium is CN(/C(F)=C/[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of [(Z)-2-fluoro-2-(N-methylanilino)ethenyl]-triphenylphosphanium?
The InChIKey is CTUNEUUWXYGWLC-HPNDGRJYSA-N. The full InChI is InChI=1S/C27H24FNP/c1-29(23-14-6-2-7-15-23)27(28)22-30(24-16-8-3-9-17-24,25-18-10-4-11-19-25)26-20-12-5-13-21-26/h2-22H,1H3/q+1/b27-22+.
What are the key properties of [(Z)-2-fluoro-2-(N-methylanilino)ethenyl]-triphenylphosphanium?
[(Z)-2-fluoro-2-(N-methylanilino)ethenyl]-triphenylphosphanium has a molecular weight of 412.47 g/mol, XLogP of 5.89, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-fluoro-2-(N-methylanilino)ethenyl]-triphenylphosphanium is sourced from PubChem (CID 11786312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).