(2S)-N-benzyl-3-diphenylphosphanyl-1,1,1-trifluoropropan-2-amine

C22H21F3NP — CID 10572275

IUPAC(2S)-N-benzyl-3-diphenylphosphanyl-1,1,1-trifluoropropan-2-amine
SMILESFC(F)(F)[C@@H](CP(c1ccccc1)c1ccccc1)NCc1ccccc1
InChIInChI=1S/C22H21F3NP/c23-22(24,25)21(26-16-18-10-4-1-5-11-18)17-27(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21,26H,16-17H2/t21-/m1/s1
InChIKeyKRNRQQKZJVOYHX-OAQYLSRUSA-N
MW387.39 g/mol
LogP4.84
Rot. Bonds7

About (2S)-N-benzyl-3-diphenylphosphanyl-1,1,1-trifluoropropan-2-amine

(2S)-N-benzyl-3-diphenylphosphanyl-1,1,1-trifluoropropan-2-amine (PubChem CID 10572275) has the molecular formula C22H21F3NP and a molecular weight of 387.39 g/mol. Its IUPAC name is (2S)-N-benzyl-3-diphenylphosphanyl-1,1,1-trifluoropropan-2-amine.

Molecular Properties

Compound Name(2S)-N-benzyl-3-diphenylphosphanyl-1,1,1-trifluoropropan-2-amine
PubChem CID10572275
Molecular FormulaC22H21F3NP
Molecular Weight387.39 g/mol
Exact Mass387.14
IUPAC Name(2S)-N-benzyl-3-diphenylphosphanyl-1,1,1-trifluoropropan-2-amine
SMILESFC(F)(F)[C@@H](CP(c1ccccc1)c1ccccc1)NCc1ccccc1
InChIInChI=1S/C22H21F3NP/c23-22(24,25)21(26-16-18-10-4-1-5-11-18)17-27(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21,26H,16-17H2/t21-/m1/s1
InChIKeyKRNRQQKZJVOYHX-OAQYLSRUSA-N
XLogP4.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 54.84
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 (2S)-N-benzyl-3-diphenylphosphanyl-1,1,1-trifluoropropan-2-amine?
The IUPAC name of (2S)-N-benzyl-3-diphenylphosphanyl-1,1,1-trifluoropropan-2-amine (CID 10572275) is (2S)-N-benzyl-3-diphenylphosphanyl-1,1,1-trifluoropropan-2-amine.
What is the SMILES notation for (2S)-N-benzyl-3-diphenylphosphanyl-1,1,1-trifluoropropan-2-amine?
The canonical SMILES for (2S)-N-benzyl-3-diphenylphosphanyl-1,1,1-trifluoropropan-2-amine is FC(F)(F)[C@@H](CP(c1ccccc1)c1ccccc1)NCc1ccccc1.
What is the InChIKey of (2S)-N-benzyl-3-diphenylphosphanyl-1,1,1-trifluoropropan-2-amine?
The InChIKey is KRNRQQKZJVOYHX-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H21F3NP/c23-22(24,25)21(26-16-18-10-4-1-5-11-18)17-27(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21,26H,16-17H2/t21-/m1/s1.
What are the key properties of (2S)-N-benzyl-3-diphenylphosphanyl-1,1,1-trifluoropropan-2-amine?
(2S)-N-benzyl-3-diphenylphosphanyl-1,1,1-trifluoropropan-2-amine has a molecular weight of 387.39 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-benzyl-3-diphenylphosphanyl-1,1,1-trifluoropropan-2-amine is sourced from PubChem (CID 10572275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).