propyl N-(2-diphenylphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate

C19H18F6NO3P — CID 15001730

IUPACpropyl N-(2-diphenylphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate
SMILESCCCOC(=O)NC(C(F)(F)F)(C(F)(F)F)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H18F6NO3P/c1-2-13-29-16(27)26-17(18(20,21)22,19(23,24)25)30(28,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3,(H,26,27)
InChIKeyIJRDUXJRGPDYAZ-UHFFFAOYSA-N
MW453.32 g/mol
LogP4.96
Rot. Bonds6

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

propyl N-(2-diphenylphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate (PubChem CID 15001730) has the molecular formula C19H18F6NO3P and a molecular weight of 453.32 g/mol. Its IUPAC name is propyl N-(2-diphenylphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate.

Molecular Properties

Compound Namepropyl N-(2-diphenylphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate
PubChem CID15001730
Molecular FormulaC19H18F6NO3P
Molecular Weight453.32 g/mol
Exact Mass453.09
IUPAC Namepropyl N-(2-diphenylphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate
SMILESCCCOC(=O)NC(C(F)(F)F)(C(F)(F)F)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H18F6NO3P/c1-2-13-29-16(27)26-17(18(20,21)22,19(23,24)25)30(28,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3,(H,26,27)
InChIKeyIJRDUXJRGPDYAZ-UHFFFAOYSA-N
XLogP4.96
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.32
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze propyl N-(2-diphenylphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
Carbamic acid, (1-(diphenylphosphinyl)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl)-, 3-methylbutyl ester
CID 3073006
methyl N-(1-diphenylphosphoryl-2,2,3,3,4,4,5,5-octafluoropentyl)carbamate
CID 4216713
(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
ethyl N-[(1R)-1-diphenylphosphoryl-2,2,3,3,4,4,5,5-octafluoropentyl]carbamate
CID 1734171
ethyl N-[(1S)-1-diphenylphosphoryl-2,2,3,3,4,4,5,5-octafluoropentyl]carbamate
CID 1734172
methyl N-[(1R)-1-diphenylphosphoryl-2,2,3,3,4,4,5,5-octafluoropentyl]carbamate
CID 2332339
methyl N-[(1S)-1-diphenylphosphoryl-2,2,3,3,4,4,5,5-octafluoropentyl]carbamate
CID 2332340
pentyl N-[1-(diphenylphosphoryl)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]carbamate
CID 2781221
Ethyl 1-(diphenylphosphoryl)-2,2,3,3,4,4,5,5-octafluoropentylcarbamate
CID 4175596

Frequently Asked Questions

What is the IUPAC name of propyl N-(2-diphenylphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate?
The IUPAC name of propyl N-(2-diphenylphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate (CID 15001730) is propyl N-(2-diphenylphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate.
What is the SMILES notation for propyl N-(2-diphenylphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate?
The canonical SMILES for propyl N-(2-diphenylphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate is CCCOC(=O)NC(C(F)(F)F)(C(F)(F)F)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of propyl N-(2-diphenylphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate?
The InChIKey is IJRDUXJRGPDYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F6NO3P/c1-2-13-29-16(27)26-17(18(20,21)22,19(23,24)25)30(28,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3,(H,26,27).
What are the key properties of propyl N-(2-diphenylphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate?
propyl N-(2-diphenylphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate has a molecular weight of 453.32 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-(2-diphenylphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate is sourced from PubChem (CID 15001730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).