(1,1,1-trifluoro-3-phenylpropan-2-yl) N-phenylcarbamate

C16H14F3NO2 — CID 2740462

IUPAC(1,1,1-trifluoro-3-phenylpropan-2-yl) N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OC(Cc1ccccc1)C(F)(F)F
InChIInChI=1S/C16H14F3NO2/c17-16(18,19)14(11-12-7-3-1-4-8-12)22-15(21)20-13-9-5-2-6-10-13/h1-10,14H,11H2,(H,20,21)
InChIKeyPXVKTDIVWPZIKC-UHFFFAOYSA-N
MW309.29 g/mol
LogP4.41
Rot. Bonds4

About (1,1,1-trifluoro-3-phenylpropan-2-yl) N-phenylcarbamate

(1,1,1-trifluoro-3-phenylpropan-2-yl) N-phenylcarbamate (PubChem CID 2740462) has the molecular formula C16H14F3NO2 and a molecular weight of 309.29 g/mol. Its IUPAC name is (1,1,1-trifluoro-3-phenylpropan-2-yl) N-phenylcarbamate.

Molecular Properties

Compound Name(1,1,1-trifluoro-3-phenylpropan-2-yl) N-phenylcarbamate
PubChem CID2740462
Molecular FormulaC16H14F3NO2
Molecular Weight309.29 g/mol
Exact Mass309.10
IUPAC Name(1,1,1-trifluoro-3-phenylpropan-2-yl) N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OC(Cc1ccccc1)C(F)(F)F
InChIInChI=1S/C16H14F3NO2/c17-16(18,19)14(11-12-7-3-1-4-8-12)22-15(21)20-13-9-5-2-6-10-13/h1-10,14H,11H2,(H,20,21)
InChIKeyPXVKTDIVWPZIKC-UHFFFAOYSA-N
XLogP4.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1,1,1-trifluoro-3-phenylpropan-2-yl) N-phenylcarbamate?
The IUPAC name of (1,1,1-trifluoro-3-phenylpropan-2-yl) N-phenylcarbamate (CID 2740462) is (1,1,1-trifluoro-3-phenylpropan-2-yl) N-phenylcarbamate.
What is the SMILES notation for (1,1,1-trifluoro-3-phenylpropan-2-yl) N-phenylcarbamate?
The canonical SMILES for (1,1,1-trifluoro-3-phenylpropan-2-yl) N-phenylcarbamate is O=C(Nc1ccccc1)OC(Cc1ccccc1)C(F)(F)F.
What is the InChIKey of (1,1,1-trifluoro-3-phenylpropan-2-yl) N-phenylcarbamate?
The InChIKey is PXVKTDIVWPZIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO2/c17-16(18,19)14(11-12-7-3-1-4-8-12)22-15(21)20-13-9-5-2-6-10-13/h1-10,14H,11H2,(H,20,21).
What are the key properties of (1,1,1-trifluoro-3-phenylpropan-2-yl) N-phenylcarbamate?
(1,1,1-trifluoro-3-phenylpropan-2-yl) N-phenylcarbamate has a molecular weight of 309.29 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1,1-trifluoro-3-phenylpropan-2-yl) N-phenylcarbamate is sourced from PubChem (CID 2740462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).