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

C13H16F3NO — CID 70114999

IUPACN-(1,1,1-trifluoro-3-phenylpropan-2-yl)butanamide
SMILESCCCC(=O)NC(Cc1ccccc1)C(F)(F)F
InChIInChI=1S/C13H16F3NO/c1-2-6-12(18)17-11(13(14,15)16)9-10-7-4-3-5-8-10/h3-5,7-8,11H,2,6,9H2,1H3,(H,17,18)
InChIKeyNUNYGGTVSVZYSX-UHFFFAOYSA-N
MW259.27 g/mol
LogP3.08
Rot. Bonds5

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

N-(1,1,1-trifluoro-3-phenylpropan-2-yl)butanamide (PubChem CID 70114999) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is N-(1,1,1-trifluoro-3-phenylpropan-2-yl)butanamide.

Molecular Properties

Compound NameN-(1,1,1-trifluoro-3-phenylpropan-2-yl)butanamide
PubChem CID70114999
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC NameN-(1,1,1-trifluoro-3-phenylpropan-2-yl)butanamide
SMILESCCCC(=O)NC(Cc1ccccc1)C(F)(F)F
InChIInChI=1S/C13H16F3NO/c1-2-6-12(18)17-11(13(14,15)16)9-10-7-4-3-5-8-10/h3-5,7-8,11H,2,6,9H2,1H3,(H,17,18)
InChIKeyNUNYGGTVSVZYSX-UHFFFAOYSA-N
XLogP3.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-amino-N-(1,1,1-trifluoro-3-phenylpropan-2-yl)butanamide;hydrochloride
CID 119801858
2-ethyl-5-[(1,1,1-trifluoro-3-phenylpropan-2-yl)carbamoyl]furan-3-carboxylic acid
CID 120822408
(1R,5S)-N-[(2S)-1,1,1-trifluoro-3-phenylpropan-2-yl]bicyclo[3.1.0]hexane-6-carboxamide
CID 97081865
1-[(1,1,1-trifluoro-3-phenylpropan-2-yl)carbamoyl]-2-oxabicyclo[2.1.1]hexane-4-carboxylic acid
CID 166300771
3-piperidin-3-yl-N-(1,1,1-trifluoro-3-phenylpropan-2-yl)butanamide
CID 119801841
N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]butanamide
CID 110347349
3-chloro-N-(1-phenylpropan-2-yl)propanamide
CID 3550913
N-[(2R)-4,4-dimethyl-3-oxo-1-phenylpentan-2-yl]pentanamide
CID 159234420
N-(1,2-diphenylethyl)pentanamide
CID 134014505
N-[(2S)-1-phenylpropan-2-yl]heptanamide
CID 102304960
1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-(1,1,1-trifluoro-3-phenylpropan-2-yl)urea
CID 71847486
N-[3-(4-chlorophenyl)-1,1,1-trifluoropropan-2-yl]acetamide
CID 135065921

Frequently Asked Questions

What is the IUPAC name of N-(1,1,1-trifluoro-3-phenylpropan-2-yl)butanamide?
The IUPAC name of N-(1,1,1-trifluoro-3-phenylpropan-2-yl)butanamide (CID 70114999) is N-(1,1,1-trifluoro-3-phenylpropan-2-yl)butanamide.
What is the SMILES notation for N-(1,1,1-trifluoro-3-phenylpropan-2-yl)butanamide?
The canonical SMILES for N-(1,1,1-trifluoro-3-phenylpropan-2-yl)butanamide is CCCC(=O)NC(Cc1ccccc1)C(F)(F)F.
What is the InChIKey of N-(1,1,1-trifluoro-3-phenylpropan-2-yl)butanamide?
The InChIKey is NUNYGGTVSVZYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c1-2-6-12(18)17-11(13(14,15)16)9-10-7-4-3-5-8-10/h3-5,7-8,11H,2,6,9H2,1H3,(H,17,18).
What are the key properties of N-(1,1,1-trifluoro-3-phenylpropan-2-yl)butanamide?
N-(1,1,1-trifluoro-3-phenylpropan-2-yl)butanamide has a molecular weight of 259.27 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,1-trifluoro-3-phenylpropan-2-yl)butanamide is sourced from PubChem (CID 70114999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).