methyl N-(1-diphenylphosphoryl-2,2,2-trifluoroethyl)carbamate

C16H15F3NO3P — CID 15402725

IUPACmethyl N-(1-diphenylphosphoryl-2,2,2-trifluoroethyl)carbamate
SMILESCOC(=O)NC(C(F)(F)F)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H15F3NO3P/c1-23-15(21)20-14(16(17,18)19)24(22,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,14H,1H3,(H,20,21)
InChIKeyARYJFWYVYKCWQD-UHFFFAOYSA-N
MW357.27 g/mol
LogP3.24
Rot. Bonds4

About methyl N-(1-diphenylphosphoryl-2,2,2-trifluoroethyl)carbamate

methyl N-(1-diphenylphosphoryl-2,2,2-trifluoroethyl)carbamate (PubChem CID 15402725) has the molecular formula C16H15F3NO3P and a molecular weight of 357.27 g/mol. Its IUPAC name is methyl N-(1-diphenylphosphoryl-2,2,2-trifluoroethyl)carbamate.

Molecular Properties

Compound Namemethyl N-(1-diphenylphosphoryl-2,2,2-trifluoroethyl)carbamate
PubChem CID15402725
Molecular FormulaC16H15F3NO3P
Molecular Weight357.27 g/mol
Exact Mass357.07
IUPAC Namemethyl N-(1-diphenylphosphoryl-2,2,2-trifluoroethyl)carbamate
SMILESCOC(=O)NC(C(F)(F)F)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H15F3NO3P/c1-23-15(21)20-14(16(17,18)19)24(22,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,14H,1H3,(H,20,21)
InChIKeyARYJFWYVYKCWQD-UHFFFAOYSA-N
XLogP3.24
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.27
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl N-(1-diphenylphosphoryl-2,2,2-trifluoroethyl)carbamate?
The IUPAC name of methyl N-(1-diphenylphosphoryl-2,2,2-trifluoroethyl)carbamate (CID 15402725) is methyl N-(1-diphenylphosphoryl-2,2,2-trifluoroethyl)carbamate.
What is the SMILES notation for methyl N-(1-diphenylphosphoryl-2,2,2-trifluoroethyl)carbamate?
The canonical SMILES for methyl N-(1-diphenylphosphoryl-2,2,2-trifluoroethyl)carbamate is COC(=O)NC(C(F)(F)F)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl N-(1-diphenylphosphoryl-2,2,2-trifluoroethyl)carbamate?
The InChIKey is ARYJFWYVYKCWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3NO3P/c1-23-15(21)20-14(16(17,18)19)24(22,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,14H,1H3,(H,20,21).
What are the key properties of methyl N-(1-diphenylphosphoryl-2,2,2-trifluoroethyl)carbamate?
methyl N-(1-diphenylphosphoryl-2,2,2-trifluoroethyl)carbamate has a molecular weight of 357.27 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(1-diphenylphosphoryl-2,2,2-trifluoroethyl)carbamate is sourced from PubChem (CID 15402725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).