[3-fluoro-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enyl]-triphenylphosphanium

C27H30FNO2P+ — CID 175001461

IUPAC[3-fluoro-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enyl]-triphenylphosphanium
SMILESCC(C)(C)OC(=O)NCC(=CF)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H29FNO2P/c1-27(2,3)31-26(30)29-20-22(19-28)21-32(23-13-7-4-8-14-23,24-15-9-5-10-16-24)25-17-11-6-12-18-25/h4-19H,20-21H2,1-3H3/p+1
InChIKeyZAVFNUQSFCMTSM-UHFFFAOYSA-O
MW450.51 g/mol
LogP5.36
Rot. Bonds7

About [3-fluoro-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enyl]-triphenylphosphanium

[3-fluoro-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enyl]-triphenylphosphanium (PubChem CID 175001461) has the molecular formula C27H30FNO2P+ and a molecular weight of 450.51 g/mol. Its IUPAC name is [3-fluoro-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enyl]-triphenylphosphanium.

Molecular Properties

Compound Name[3-fluoro-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enyl]-triphenylphosphanium
PubChem CID175001461
Molecular FormulaC27H30FNO2P+
Molecular Weight450.51 g/mol
Exact Mass450.20
IUPAC Name[3-fluoro-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enyl]-triphenylphosphanium
SMILESCC(C)(C)OC(=O)NCC(=CF)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H29FNO2P/c1-27(2,3)31-26(30)29-20-22(19-28)21-32(23-13-7-4-8-14-23,24-15-9-5-10-16-24)25-17-11-6-12-18-25/h4-19H,20-21H2,1-3H3/p+1
InChIKeyZAVFNUQSFCMTSM-UHFFFAOYSA-O
XLogP5.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.51
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [3-fluoro-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enyl]-triphenylphosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2-Methylpropan-2-yl)oxycarbonylamino]butyl-tris[4-(trifluoromethyl)phenyl]phosphanium
CID 158989820
tert-butyl N-[(2S)-1-diphenylphosphanyl-3,3-dimethylbutan-2-yl]carbamate
CID 10738865
tert-butyl N-[(1S)-1-triphenylsilylprop-2-enyl]carbamate
CID 11373383
tert-butyl N-[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]carbamate
CID 15145877
tert-butyl N-[(2S)-1-diphenylphosphanyl-3-phenylpropan-2-yl]carbamate
CID 15145878
tert-butyl N-(1-triphenylsilylbut-3-enyl)carbamate
CID 134905481
(4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,1-diphenyl-3,4-dihydro-2H-phosphinin-1-ium-5-olate
CID 139092992
t-Butyl {3-[(triphenylphosphoranylidene)amino]-propyl}carbamate
CID 169502567
6-[(2-Methylpropan-2-yl)oxycarbonylamino]hexyl-triphenylphosphanium
CID 71602227
(3-((Tert-butoxycarbonyl)amino)propyl)triphenylphosphonium bromide
CID 86685025
3-[(2-Methylpropan-2-yl)oxycarbonylamino]propyl-triphenylphosphanium
CID 86685026
(6-((Tert-butoxycarbonyl)amino)hexyl)triphenylphosphonium bromide
CID 86685029

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enyl]-triphenylphosphanium?
The IUPAC name of [3-fluoro-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enyl]-triphenylphosphanium (CID 175001461) is [3-fluoro-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enyl]-triphenylphosphanium.
What is the SMILES notation for [3-fluoro-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enyl]-triphenylphosphanium?
The canonical SMILES for [3-fluoro-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enyl]-triphenylphosphanium is CC(C)(C)OC(=O)NCC(=CF)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [3-fluoro-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enyl]-triphenylphosphanium?
The InChIKey is ZAVFNUQSFCMTSM-UHFFFAOYSA-O. The full InChI is InChI=1S/C27H29FNO2P/c1-27(2,3)31-26(30)29-20-22(19-28)21-32(23-13-7-4-8-14-23,24-15-9-5-10-16-24)25-17-11-6-12-18-25/h4-19H,20-21H2,1-3H3/p+1.
What are the key properties of [3-fluoro-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enyl]-triphenylphosphanium?
[3-fluoro-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enyl]-triphenylphosphanium has a molecular weight of 450.51 g/mol, XLogP of 5.36, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enyl]-triphenylphosphanium is sourced from PubChem (CID 175001461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).