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

C17H11F9NO2P — CID 15001731

IUPACN-(2-diphenylphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)-2,2,2-trifluoroacetamide
SMILESO=C(NC(C(F)(F)F)(C(F)(F)F)P(=O)(c1ccccc1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C17H11F9NO2P/c18-14(19,20)13(28)27-15(16(21,22)23,17(24,25)26)30(29,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H,27,28)
InChIKeyCKAMQOWXKMRJAX-UHFFFAOYSA-N
MW463.24 g/mol
LogP4.50
Rot. Bonds4

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

N-(2-diphenylphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)-2,2,2-trifluoroacetamide (PubChem CID 15001731) has the molecular formula C17H11F9NO2P and a molecular weight of 463.24 g/mol. Its IUPAC name is N-(2-diphenylphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(2-diphenylphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)-2,2,2-trifluoroacetamide
PubChem CID15001731
Molecular FormulaC17H11F9NO2P
Molecular Weight463.24 g/mol
Exact Mass463.04
IUPAC NameN-(2-diphenylphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)-2,2,2-trifluoroacetamide
SMILESO=C(NC(C(F)(F)F)(C(F)(F)F)P(=O)(c1ccccc1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C17H11F9NO2P/c18-14(19,20)13(28)27-15(16(21,22)23,17(24,25)26)30(29,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H,27,28)
InChIKeyCKAMQOWXKMRJAX-UHFFFAOYSA-N
XLogP4.50
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.24
LogP ≤ 54.50
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-(2-diphenylphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)acetamide
CID 10916578
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-tert-butyl-2-diphenylphosphorylacetamide
CID 4495422

Frequently Asked Questions

What is the IUPAC name of N-(2-diphenylphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(2-diphenylphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)-2,2,2-trifluoroacetamide (CID 15001731) is N-(2-diphenylphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(2-diphenylphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(2-diphenylphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)-2,2,2-trifluoroacetamide is O=C(NC(C(F)(F)F)(C(F)(F)F)P(=O)(c1ccccc1)c1ccccc1)C(F)(F)F.
What is the InChIKey of N-(2-diphenylphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)-2,2,2-trifluoroacetamide?
The InChIKey is CKAMQOWXKMRJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F9NO2P/c18-14(19,20)13(28)27-15(16(21,22)23,17(24,25)26)30(29,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H,27,28).
What are the key properties of N-(2-diphenylphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)-2,2,2-trifluoroacetamide?
N-(2-diphenylphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)-2,2,2-trifluoroacetamide has a molecular weight of 463.24 g/mol, XLogP of 4.50, 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)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 15001731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).