(2R)-N-diphenylphosphoryl-1,1,1-trifluoro-2-naphthalen-2-ylbutan-2-amine

C26H23F3NOP — CID 102386716

IUPAC(2R)-N-diphenylphosphoryl-1,1,1-trifluoro-2-naphthalen-2-ylbutan-2-amine
SMILESCC[C@@](NP(=O)(c1ccccc1)c1ccccc1)(c1ccc2ccccc2c1)C(F)(F)F
InChIInChI=1S/C26H23F3NOP/c1-2-25(26(27,28)29,22-18-17-20-11-9-10-12-21(20)19-22)30-32(31,23-13-5-3-6-14-23)24-15-7-4-8-16-24/h3-19H,2H2,1H3,(H,30,31)/t25-/m1/s1
InChIKeyOOMTVFQNKVKALZ-RUZDIDTESA-N
MW453.44 g/mol
LogP6.53
Rot. Bonds6

About (2R)-N-diphenylphosphoryl-1,1,1-trifluoro-2-naphthalen-2-ylbutan-2-amine

(2R)-N-diphenylphosphoryl-1,1,1-trifluoro-2-naphthalen-2-ylbutan-2-amine (PubChem CID 102386716) has the molecular formula C26H23F3NOP and a molecular weight of 453.44 g/mol. Its IUPAC name is (2R)-N-diphenylphosphoryl-1,1,1-trifluoro-2-naphthalen-2-ylbutan-2-amine.

Molecular Properties

Compound Name(2R)-N-diphenylphosphoryl-1,1,1-trifluoro-2-naphthalen-2-ylbutan-2-amine
PubChem CID102386716
Molecular FormulaC26H23F3NOP
Molecular Weight453.44 g/mol
Exact Mass453.15
IUPAC Name(2R)-N-diphenylphosphoryl-1,1,1-trifluoro-2-naphthalen-2-ylbutan-2-amine
SMILESCC[C@@](NP(=O)(c1ccccc1)c1ccccc1)(c1ccc2ccccc2c1)C(F)(F)F
InChIInChI=1S/C26H23F3NOP/c1-2-25(26(27,28)29,22-18-17-20-11-9-10-12-21(20)19-22)30-32(31,23-13-5-3-6-14-23)24-15-7-4-8-16-24/h3-19H,2H2,1H3,(H,30,31)/t25-/m1/s1
InChIKeyOOMTVFQNKVKALZ-RUZDIDTESA-N
XLogP6.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.44
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(diphenylphosphorylamino)-2-naphthalen-2-ylpropanenitrile
CID 135070541
ethyl (2S,3S)-3-(diphenylphosphorylamino)-2-methyl-3-naphthalen-2-ylbutanoate
CID 135003944
N-diphenylphosphoryl-1-ethoxy-2,2,2-trifluoro-1-(3-methylphenyl)ethanamine
CID 102386705
2-(1,1,1,3,3,3-hexafluoro-2-naphthalen-2-ylpropan-2-yl)naphthalene
CID 164898429
N-tert-butylnaphthalen-2-amine
CID 13200783
(1S,2S)-1-N-diphenylphosphoryl-1-(4-methoxyphenyl)-1-phenylpropane-1,2-diamine
CID 11213233
N-ethyl-1,1,1-trifluoro-2-phenylbutan-2-amine
CID 66204953
ethyl 2,2-difluoro-2-naphthalen-2-ylacetate
CID 12585543
(1R)-1-diethoxyphosphoryl-1-naphthalen-2-ylethanol
CID 15260930
butyl 3-[bis(3,5-dimethylphenyl)phosphorylamino]-3-naphthalen-2-ylbutanoate
CID 102158743
2,2-difluoro-3-hydroxy-3-naphthalen-2-ylbutanoic acid
CID 62398445
N',N'-dimethyl-N-naphthalen-2-ylethane-1,2-diamine
CID 43401306

Frequently Asked Questions

What is the IUPAC name of (2R)-N-diphenylphosphoryl-1,1,1-trifluoro-2-naphthalen-2-ylbutan-2-amine?
The IUPAC name of (2R)-N-diphenylphosphoryl-1,1,1-trifluoro-2-naphthalen-2-ylbutan-2-amine (CID 102386716) is (2R)-N-diphenylphosphoryl-1,1,1-trifluoro-2-naphthalen-2-ylbutan-2-amine.
What is the SMILES notation for (2R)-N-diphenylphosphoryl-1,1,1-trifluoro-2-naphthalen-2-ylbutan-2-amine?
The canonical SMILES for (2R)-N-diphenylphosphoryl-1,1,1-trifluoro-2-naphthalen-2-ylbutan-2-amine is CC[C@@](NP(=O)(c1ccccc1)c1ccccc1)(c1ccc2ccccc2c1)C(F)(F)F.
What is the InChIKey of (2R)-N-diphenylphosphoryl-1,1,1-trifluoro-2-naphthalen-2-ylbutan-2-amine?
The InChIKey is OOMTVFQNKVKALZ-RUZDIDTESA-N. The full InChI is InChI=1S/C26H23F3NOP/c1-2-25(26(27,28)29,22-18-17-20-11-9-10-12-21(20)19-22)30-32(31,23-13-5-3-6-14-23)24-15-7-4-8-16-24/h3-19H,2H2,1H3,(H,30,31)/t25-/m1/s1.
What are the key properties of (2R)-N-diphenylphosphoryl-1,1,1-trifluoro-2-naphthalen-2-ylbutan-2-amine?
(2R)-N-diphenylphosphoryl-1,1,1-trifluoro-2-naphthalen-2-ylbutan-2-amine has a molecular weight of 453.44 g/mol, XLogP of 6.53, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-diphenylphosphoryl-1,1,1-trifluoro-2-naphthalen-2-ylbutan-2-amine is sourced from PubChem (CID 102386716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).