(2,2,2-trifluoro-1-phenylethyl) N-phenylcarbamate

C15H12F3NO2 — CID 3697950

IUPAC(2,2,2-trifluoro-1-phenylethyl) N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OC(c1ccccc1)C(F)(F)F
InChIInChI=1S/C15H12F3NO2/c16-15(17,18)13(11-7-3-1-4-8-11)21-14(20)19-12-9-5-2-6-10-12/h1-10,13H,(H,19,20)
InChIKeyKXLYRPXGMALCIH-UHFFFAOYSA-N
MW295.26 g/mol
LogP4.54
Rot. Bonds3

About (2,2,2-trifluoro-1-phenylethyl) N-phenylcarbamate

(2,2,2-trifluoro-1-phenylethyl) N-phenylcarbamate (PubChem CID 3697950) has the molecular formula C15H12F3NO2 and a molecular weight of 295.26 g/mol. Its IUPAC name is (2,2,2-trifluoro-1-phenylethyl) N-phenylcarbamate.

Molecular Properties

Compound Name(2,2,2-trifluoro-1-phenylethyl) N-phenylcarbamate
PubChem CID3697950
Molecular FormulaC15H12F3NO2
Molecular Weight295.26 g/mol
Exact Mass295.08
IUPAC Name(2,2,2-trifluoro-1-phenylethyl) N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OC(c1ccccc1)C(F)(F)F
InChIInChI=1S/C15H12F3NO2/c16-15(17,18)13(11-7-3-1-4-8-11)21-14(20)19-12-9-5-2-6-10-12/h1-10,13H,(H,19,20)
InChIKeyKXLYRPXGMALCIH-UHFFFAOYSA-N
XLogP4.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,2,2-trifluoro-1-phenylethyl) N-phenylcarbamate?
The IUPAC name of (2,2,2-trifluoro-1-phenylethyl) N-phenylcarbamate (CID 3697950) is (2,2,2-trifluoro-1-phenylethyl) N-phenylcarbamate.
What is the SMILES notation for (2,2,2-trifluoro-1-phenylethyl) N-phenylcarbamate?
The canonical SMILES for (2,2,2-trifluoro-1-phenylethyl) N-phenylcarbamate is O=C(Nc1ccccc1)OC(c1ccccc1)C(F)(F)F.
What is the InChIKey of (2,2,2-trifluoro-1-phenylethyl) N-phenylcarbamate?
The InChIKey is KXLYRPXGMALCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO2/c16-15(17,18)13(11-7-3-1-4-8-11)21-14(20)19-12-9-5-2-6-10-12/h1-10,13H,(H,19,20).
What are the key properties of (2,2,2-trifluoro-1-phenylethyl) N-phenylcarbamate?
(2,2,2-trifluoro-1-phenylethyl) N-phenylcarbamate has a molecular weight of 295.26 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,2-trifluoro-1-phenylethyl) N-phenylcarbamate is sourced from PubChem (CID 3697950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).