N-(2-diphenylphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)acetamide

C17H14F6NO2P — CID 10916578

IUPACN-(2-diphenylphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)acetamide
SMILESCC(=O)NC(C(F)(F)F)(C(F)(F)F)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H14F6NO2P/c1-12(25)24-15(16(18,19)20,17(21,22)23)27(26,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,1H3,(H,24,25)
InChIKeyNKXHARMCDGLZCX-UHFFFAOYSA-N
MW409.27 g/mol
LogP3.96
Rot. Bonds4

About N-(2-diphenylphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)acetamide

N-(2-diphenylphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)acetamide (PubChem CID 10916578) has the molecular formula C17H14F6NO2P and a molecular weight of 409.27 g/mol. Its IUPAC name is N-(2-diphenylphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-diphenylphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)acetamide
PubChem CID10916578
Molecular FormulaC17H14F6NO2P
Molecular Weight409.27 g/mol
Exact Mass409.07
IUPAC NameN-(2-diphenylphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)acetamide
SMILESCC(=O)NC(C(F)(F)F)(C(F)(F)F)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H14F6NO2P/c1-12(25)24-15(16(18,19)20,17(21,22)23)27(26,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,1H3,(H,24,25)
InChIKeyNKXHARMCDGLZCX-UHFFFAOYSA-N
XLogP3.96
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.27
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Carbamic acid, (1-(diphenylphosphinyl)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl)-, butyl ester
CID 3073005
ethyl N-[1-(diphenylphosphoryl)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]carbamate
CID 2063395
N-(1-(Diphenylphosphoryl)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 382505
N-[1-dibenzylphosphoryl-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 382501
N-tert-butyl-1-diphenylphosphorylformamide
CID 2776626
(Diphenylphosphoryl)methyl (1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate
CID 1935289
N-(2-diphenylphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)-2,2,2-trifluoroacetamide
CID 15001731
propyl N-(2-diphenylphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate
CID 15001730
N-(diphenylphosphorylmethyl)-2,2,2-trifluoroacetamide
CID 21204835
N-[(Z,2R)-9-diphenylphosphorylnon-6-en-2-yl]-2,2,2-trifluoroacetamide
CID 101714736
N-[(Z,2S)-9-diphenylphosphorylnon-6-en-2-yl]-2,2,2-trifluoroacetamide
CID 101714737
N-diphenylphosphorylacetamide
CID 155068871

Frequently Asked Questions

What is the IUPAC name of N-(2-diphenylphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)acetamide?
The IUPAC name of N-(2-diphenylphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)acetamide (CID 10916578) is N-(2-diphenylphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)acetamide.
What is the SMILES notation for N-(2-diphenylphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)acetamide?
The canonical SMILES for N-(2-diphenylphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)acetamide is CC(=O)NC(C(F)(F)F)(C(F)(F)F)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(2-diphenylphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)acetamide?
The InChIKey is NKXHARMCDGLZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F6NO2P/c1-12(25)24-15(16(18,19)20,17(21,22)23)27(26,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,1H3,(H,24,25).
What are the key properties of N-(2-diphenylphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)acetamide?
N-(2-diphenylphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)acetamide has a molecular weight of 409.27 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-diphenylphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)acetamide is sourced from PubChem (CID 10916578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).