[2-[(1S)-1-[diphenylphosphanyl(methyl)amino]ethyl]cyclopentylidene]-bis(4-fluorophenyl)phosphanium

C32H32F2NP2+ — CID 59188163

IUPAC[2-[(1S)-1-[diphenylphosphanyl(methyl)amino]ethyl]cyclopentylidene]-bis(4-fluorophenyl)phosphanium
SMILESC[C@@H](C1CCCC1=[P+](c1ccc(F)cc1)c1ccc(F)cc1)N(C)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H32F2NP2/c1-24(35(2)37(29-10-5-3-6-11-29)30-12-7-4-8-13-30)31-14-9-15-32(31)36(27-20-16-25(33)17-21-27)28-22-18-26(34)19-23-28/h3-8,10-13,16-24,31H,9,14-15H2,1-2H3/q+1/t24-,31?/m0/s1
InChIKeyARHXNWUYLSJNJS-ACXKHFGCSA-N
MW530.56 g/mol
LogP6.74
Rot. Bonds7

About [2-[(1S)-1-[diphenylphosphanyl(methyl)amino]ethyl]cyclopentylidene]-bis(4-fluorophenyl)phosphanium

[2-[(1S)-1-[diphenylphosphanyl(methyl)amino]ethyl]cyclopentylidene]-bis(4-fluorophenyl)phosphanium (PubChem CID 59188163) has the molecular formula C32H32F2NP2+ and a molecular weight of 530.56 g/mol. Its IUPAC name is [2-[(1S)-1-[diphenylphosphanyl(methyl)amino]ethyl]cyclopentylidene]-bis(4-fluorophenyl)phosphanium.

Molecular Properties

Compound Name[2-[(1S)-1-[diphenylphosphanyl(methyl)amino]ethyl]cyclopentylidene]-bis(4-fluorophenyl)phosphanium
PubChem CID59188163
Molecular FormulaC32H32F2NP2+
Molecular Weight530.56 g/mol
Exact Mass530.20
IUPAC Name[2-[(1S)-1-[diphenylphosphanyl(methyl)amino]ethyl]cyclopentylidene]-bis(4-fluorophenyl)phosphanium
SMILESC[C@@H](C1CCCC1=[P+](c1ccc(F)cc1)c1ccc(F)cc1)N(C)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H32F2NP2/c1-24(35(2)37(29-10-5-3-6-11-29)30-12-7-4-8-13-30)31-14-9-15-32(31)36(27-20-16-25(33)17-21-27)28-22-18-26(34)19-23-28/h3-8,10-13,16-24,31H,9,14-15H2,1-2H3/q+1/t24-,31?/m0/s1
InChIKeyARHXNWUYLSJNJS-ACXKHFGCSA-N
XLogP6.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.56
LogP ≤ 56.74
H-Bond Donors ≤ 50
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-[(1S)-1-[diphenylphosphanyl(methyl)amino]ethyl]cyclopentylidene]-bis(4-fluorophenyl)phosphanium?
The IUPAC name of [2-[(1S)-1-[diphenylphosphanyl(methyl)amino]ethyl]cyclopentylidene]-bis(4-fluorophenyl)phosphanium (CID 59188163) is [2-[(1S)-1-[diphenylphosphanyl(methyl)amino]ethyl]cyclopentylidene]-bis(4-fluorophenyl)phosphanium.
What is the SMILES notation for [2-[(1S)-1-[diphenylphosphanyl(methyl)amino]ethyl]cyclopentylidene]-bis(4-fluorophenyl)phosphanium?
The canonical SMILES for [2-[(1S)-1-[diphenylphosphanyl(methyl)amino]ethyl]cyclopentylidene]-bis(4-fluorophenyl)phosphanium is C[C@@H](C1CCCC1=[P+](c1ccc(F)cc1)c1ccc(F)cc1)N(C)P(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-[(1S)-1-[diphenylphosphanyl(methyl)amino]ethyl]cyclopentylidene]-bis(4-fluorophenyl)phosphanium?
The InChIKey is ARHXNWUYLSJNJS-ACXKHFGCSA-N. The full InChI is InChI=1S/C32H32F2NP2/c1-24(35(2)37(29-10-5-3-6-11-29)30-12-7-4-8-13-30)31-14-9-15-32(31)36(27-20-16-25(33)17-21-27)28-22-18-26(34)19-23-28/h3-8,10-13,16-24,31H,9,14-15H2,1-2H3/q+1/t24-,31?/m0/s1.
What are the key properties of [2-[(1S)-1-[diphenylphosphanyl(methyl)amino]ethyl]cyclopentylidene]-bis(4-fluorophenyl)phosphanium?
[2-[(1S)-1-[diphenylphosphanyl(methyl)amino]ethyl]cyclopentylidene]-bis(4-fluorophenyl)phosphanium has a molecular weight of 530.56 g/mol, XLogP of 6.74, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1S)-1-[diphenylphosphanyl(methyl)amino]ethyl]cyclopentylidene]-bis(4-fluorophenyl)phosphanium is sourced from PubChem (CID 59188163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).