N-(3,3-diphenylpropyl)-2,2,2-trifluoroacetamide

C17H16F3NO — CID 874192

IUPACN-(3,3-diphenylpropyl)-2,2,2-trifluoroacetamide
SMILESO=C(NCCC(c1ccccc1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C17H16F3NO/c18-17(19,20)16(22)21-12-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,21,22)
InChIKeyWIYQUGLQLHRYPZ-UHFFFAOYSA-N
MW307.32 g/mol
LogP3.89
Rot. Bonds5

About N-(3,3-diphenylpropyl)-2,2,2-trifluoroacetamide

N-(3,3-diphenylpropyl)-2,2,2-trifluoroacetamide (PubChem CID 874192) has the molecular formula C17H16F3NO and a molecular weight of 307.32 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-2,2,2-trifluoroacetamide
PubChem CID874192
Molecular FormulaC17H16F3NO
Molecular Weight307.32 g/mol
Exact Mass307.12
IUPAC NameN-(3,3-diphenylpropyl)-2,2,2-trifluoroacetamide
SMILESO=C(NCCC(c1ccccc1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C17H16F3NO/c18-17(19,20)16(22)21-12-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,21,22)
InChIKeyWIYQUGLQLHRYPZ-UHFFFAOYSA-N
XLogP3.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(3,3-diphenylpropyl)-2,2,2-trifluoroacetamide (CID 874192) is N-(3,3-diphenylpropyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(3,3-diphenylpropyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(3,3-diphenylpropyl)-2,2,2-trifluoroacetamide is O=C(NCCC(c1ccccc1)c1ccccc1)C(F)(F)F.
What is the InChIKey of N-(3,3-diphenylpropyl)-2,2,2-trifluoroacetamide?
The InChIKey is WIYQUGLQLHRYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO/c18-17(19,20)16(22)21-12-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,21,22).
What are the key properties of N-(3,3-diphenylpropyl)-2,2,2-trifluoroacetamide?
N-(3,3-diphenylpropyl)-2,2,2-trifluoroacetamide has a molecular weight of 307.32 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 874192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).