3,3,3-trifluoro-2-phenyl-2-phenylmethoxypropanamide

C16H14F3NO2 — CID 21024131

IUPAC3,3,3-trifluoro-2-phenyl-2-phenylmethoxypropanamide
SMILESNC(=O)C(OCc1ccccc1)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C16H14F3NO2/c17-16(18,19)15(14(20)21,13-9-5-2-6-10-13)22-11-12-7-3-1-4-8-12/h1-10H,11H2,(H2,20,21)
InChIKeyMSVJOBDFMPITRA-UHFFFAOYSA-N
MW309.29 g/mol
LogP3.15
Rot. Bonds5

About 3,3,3-trifluoro-2-phenyl-2-phenylmethoxypropanamide

3,3,3-trifluoro-2-phenyl-2-phenylmethoxypropanamide (PubChem CID 21024131) has the molecular formula C16H14F3NO2 and a molecular weight of 309.29 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-phenyl-2-phenylmethoxypropanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-2-phenyl-2-phenylmethoxypropanamide
PubChem CID21024131
Molecular FormulaC16H14F3NO2
Molecular Weight309.29 g/mol
Exact Mass309.10
IUPAC Name3,3,3-trifluoro-2-phenyl-2-phenylmethoxypropanamide
SMILESNC(=O)C(OCc1ccccc1)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C16H14F3NO2/c17-16(18,19)15(14(20)21,13-9-5-2-6-10-13)22-11-12-7-3-1-4-8-12/h1-10H,11H2,(H2,20,21)
InChIKeyMSVJOBDFMPITRA-UHFFFAOYSA-N
XLogP3.15
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-phenyl-2-phenylmethoxypropanamide?
The IUPAC name of 3,3,3-trifluoro-2-phenyl-2-phenylmethoxypropanamide (CID 21024131) is 3,3,3-trifluoro-2-phenyl-2-phenylmethoxypropanamide.
What is the SMILES notation for 3,3,3-trifluoro-2-phenyl-2-phenylmethoxypropanamide?
The canonical SMILES for 3,3,3-trifluoro-2-phenyl-2-phenylmethoxypropanamide is NC(=O)C(OCc1ccccc1)(c1ccccc1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-phenyl-2-phenylmethoxypropanamide?
The InChIKey is MSVJOBDFMPITRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO2/c17-16(18,19)15(14(20)21,13-9-5-2-6-10-13)22-11-12-7-3-1-4-8-12/h1-10H,11H2,(H2,20,21).
What are the key properties of 3,3,3-trifluoro-2-phenyl-2-phenylmethoxypropanamide?
3,3,3-trifluoro-2-phenyl-2-phenylmethoxypropanamide has a molecular weight of 309.29 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-phenyl-2-phenylmethoxypropanamide is sourced from PubChem (CID 21024131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).