(2R)-2-(4-bromophenyl)-N-diphenylphosphoryl-1,1,1-trifluoropropan-2-amine

C21H18BrF3NOP — CID 11612455

IUPAC(2R)-2-(4-bromophenyl)-N-diphenylphosphoryl-1,1,1-trifluoropropan-2-amine
SMILESC[C@@](NP(=O)(c1ccccc1)c1ccccc1)(c1ccc(Br)cc1)C(F)(F)F
InChIInChI=1S/C21H18BrF3NOP/c1-20(21(23,24)25,16-12-14-17(22)15-13-16)26-28(27,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15H,1H3,(H,26,27)/t20-/m1/s1
InChIKeyONVFBWKWJXAGJF-HXUWFJFHSA-N
MW468.25 g/mol
LogP5.75
Rot. Bonds5

About (2R)-2-(4-bromophenyl)-N-diphenylphosphoryl-1,1,1-trifluoropropan-2-amine

(2R)-2-(4-bromophenyl)-N-diphenylphosphoryl-1,1,1-trifluoropropan-2-amine (PubChem CID 11612455) has the molecular formula C21H18BrF3NOP and a molecular weight of 468.25 g/mol. Its IUPAC name is (2R)-2-(4-bromophenyl)-N-diphenylphosphoryl-1,1,1-trifluoropropan-2-amine.

Molecular Properties

Compound Name(2R)-2-(4-bromophenyl)-N-diphenylphosphoryl-1,1,1-trifluoropropan-2-amine
PubChem CID11612455
Molecular FormulaC21H18BrF3NOP
Molecular Weight468.25 g/mol
Exact Mass467.03
IUPAC Name(2R)-2-(4-bromophenyl)-N-diphenylphosphoryl-1,1,1-trifluoropropan-2-amine
SMILESC[C@@](NP(=O)(c1ccccc1)c1ccccc1)(c1ccc(Br)cc1)C(F)(F)F
InChIInChI=1S/C21H18BrF3NOP/c1-20(21(23,24)25,16-12-14-17(22)15-13-16)26-28(27,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15H,1H3,(H,26,27)/t20-/m1/s1
InChIKeyONVFBWKWJXAGJF-HXUWFJFHSA-N
XLogP5.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.25
LogP ≤ 55.75
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 (2R)-2-(4-bromophenyl)-N-diphenylphosphoryl-1,1,1-trifluoropropan-2-amine?
The IUPAC name of (2R)-2-(4-bromophenyl)-N-diphenylphosphoryl-1,1,1-trifluoropropan-2-amine (CID 11612455) is (2R)-2-(4-bromophenyl)-N-diphenylphosphoryl-1,1,1-trifluoropropan-2-amine.
What is the SMILES notation for (2R)-2-(4-bromophenyl)-N-diphenylphosphoryl-1,1,1-trifluoropropan-2-amine?
The canonical SMILES for (2R)-2-(4-bromophenyl)-N-diphenylphosphoryl-1,1,1-trifluoropropan-2-amine is C[C@@](NP(=O)(c1ccccc1)c1ccccc1)(c1ccc(Br)cc1)C(F)(F)F.
What is the InChIKey of (2R)-2-(4-bromophenyl)-N-diphenylphosphoryl-1,1,1-trifluoropropan-2-amine?
The InChIKey is ONVFBWKWJXAGJF-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H18BrF3NOP/c1-20(21(23,24)25,16-12-14-17(22)15-13-16)26-28(27,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15H,1H3,(H,26,27)/t20-/m1/s1.
What are the key properties of (2R)-2-(4-bromophenyl)-N-diphenylphosphoryl-1,1,1-trifluoropropan-2-amine?
(2R)-2-(4-bromophenyl)-N-diphenylphosphoryl-1,1,1-trifluoropropan-2-amine has a molecular weight of 468.25 g/mol, XLogP of 5.75, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-bromophenyl)-N-diphenylphosphoryl-1,1,1-trifluoropropan-2-amine is sourced from PubChem (CID 11612455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).