3,3,3-trifluoro-N-(3-oxopentan-2-yl)propanamide

C8H12F3NO2 — CID 64997000

IUPAC3,3,3-trifluoro-N-(3-oxopentan-2-yl)propanamide
SMILESCCC(=O)C(C)NC(=O)CC(F)(F)F
InChIInChI=1S/C8H12F3NO2/c1-3-6(13)5(2)12-7(14)4-8(9,10)11/h5H,3-4H2,1-2H3,(H,12,14)
InChIKeyVWFKNRUBKPMDFX-UHFFFAOYSA-N
MW211.18 g/mol
LogP1.42
Rot. Bonds4

About 3,3,3-trifluoro-N-(3-oxopentan-2-yl)propanamide

3,3,3-trifluoro-N-(3-oxopentan-2-yl)propanamide (PubChem CID 64997000) has the molecular formula C8H12F3NO2 and a molecular weight of 211.18 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(3-oxopentan-2-yl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(3-oxopentan-2-yl)propanamide
PubChem CID64997000
Molecular FormulaC8H12F3NO2
Molecular Weight211.18 g/mol
Exact Mass211.08
IUPAC Name3,3,3-trifluoro-N-(3-oxopentan-2-yl)propanamide
SMILESCCC(=O)C(C)NC(=O)CC(F)(F)F
InChIInChI=1S/C8H12F3NO2/c1-3-6(13)5(2)12-7(14)4-8(9,10)11/h5H,3-4H2,1-2H3,(H,12,14)
InChIKeyVWFKNRUBKPMDFX-UHFFFAOYSA-N
XLogP1.42
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-1-sulfanylidenepropan-2-yl)-3,3,3-trifluoropropanamide
CID 61121055
2,2-dimethyl-N-[(2S)-3-oxopentan-2-yl]propanamide
CID 126726603
2-methyl-N-(3-oxopentan-2-yl)propanamide
CID 64991731
N-(3-oxopentan-2-yl)carbamoyl chloride
CID 155280819
5-oxo-5-[[(2S)-3-oxopentan-2-yl]amino]pentanoic acid
CID 89296216
N-(1-cyanopropyl)-3,3,3-trifluoropropanamide
CID 61118868
1-tert-butyl-3-(3-oxopentan-2-yl)urea
CID 64994030
tert-butyl N-(3-oxopentan-2-yl)carbamate
CID 64996768
N-(3-oxobutan-2-yl)propanamide
CID 22943760
(2R)-2-(propan-2-ylamino)pentan-3-one
CID 89390252
(5S)-4-oxo-5-(propanoylamino)hexanamide
CID 126731889
4-chloro-1,1,1-trifluoropentan-3-one
CID 146236110

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-(3-oxopentan-2-yl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-(3-oxopentan-2-yl)propanamide (CID 64997000) is 3,3,3-trifluoro-N-(3-oxopentan-2-yl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-(3-oxopentan-2-yl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-(3-oxopentan-2-yl)propanamide is CCC(=O)C(C)NC(=O)CC(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-(3-oxopentan-2-yl)propanamide?
The InChIKey is VWFKNRUBKPMDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO2/c1-3-6(13)5(2)12-7(14)4-8(9,10)11/h5H,3-4H2,1-2H3,(H,12,14).
What are the key properties of 3,3,3-trifluoro-N-(3-oxopentan-2-yl)propanamide?
3,3,3-trifluoro-N-(3-oxopentan-2-yl)propanamide has a molecular weight of 211.18 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-(3-oxopentan-2-yl)propanamide is sourced from PubChem (CID 64997000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).