2,2,2-trifluoro-N-(5-methyl-2-oxohexan-3-yl)acetamide

C9H14F3NO2 — CID 123478584

IUPAC2,2,2-trifluoro-N-(5-methyl-2-oxohexan-3-yl)acetamide
SMILESCC(=O)C(CC(C)C)NC(=O)C(F)(F)F
InChIInChI=1S/C9H14F3NO2/c1-5(2)4-7(6(3)14)13-8(15)9(10,11)12/h5,7H,4H2,1-3H3,(H,13,15)
InChIKeyHRKRRVWMJPGXTA-UHFFFAOYSA-N
MW225.21 g/mol
LogP1.67
Rot. Bonds4

About 2,2,2-trifluoro-N-(5-methyl-2-oxohexan-3-yl)acetamide

2,2,2-trifluoro-N-(5-methyl-2-oxohexan-3-yl)acetamide (PubChem CID 123478584) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(5-methyl-2-oxohexan-3-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(5-methyl-2-oxohexan-3-yl)acetamide
PubChem CID123478584
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC Name2,2,2-trifluoro-N-(5-methyl-2-oxohexan-3-yl)acetamide
SMILESCC(=O)C(CC(C)C)NC(=O)C(F)(F)F
InChIInChI=1S/C9H14F3NO2/c1-5(2)4-7(6(3)14)13-8(15)9(10,11)12/h5,7H,4H2,1-3H3,(H,13,15)
InChIKeyHRKRRVWMJPGXTA-UHFFFAOYSA-N
XLogP1.67
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(methylamino)-N-[(3S)-5-methyl-2-oxohexan-3-yl]acetamide
CID 59002736
2-(methylamino)-N-[(3R)-5-methyl-2-oxohexan-3-yl]acetamide
CID 88978455
N-cyclohexyl-4,4,4-trifluoro-2-oxo-3-(trifluoromethyl)butanamide
CID 5248626
2,2-dimethyl-N-[(1S,4S)-2-oxo-4-(trifluoromethyl)cyclohexyl]propanamide
CID 164679204
2,2-dimethyl-N-[(1R,4R)-2-oxo-4-(trifluoromethyl)cyclohexyl]propanamide
CID 176434988
N-(2-oxohexan-3-yl)acetamide
CID 12234059
Acetamide, N-(1-acetyl-3-methylbutyl)-
CID 12277623
N-[(3S)-2-methyl-5-oxohexan-3-yl]acetamide
CID 89293278
2-amino-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide
CID 19926352
N-(2,7-dimethyl-3,6-dioxooctan-4-yl)-2,2,2-trifluoroacetamide
CID 20871711
(5,5,6,6,6-Pentafluoro-2-methyl-4-oxohexan-3-yl)carbamic acid
CID 21716232
N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide;hydrochloride
CID 21743800

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(5-methyl-2-oxohexan-3-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(5-methyl-2-oxohexan-3-yl)acetamide (CID 123478584) is 2,2,2-trifluoro-N-(5-methyl-2-oxohexan-3-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(5-methyl-2-oxohexan-3-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(5-methyl-2-oxohexan-3-yl)acetamide is CC(=O)C(CC(C)C)NC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(5-methyl-2-oxohexan-3-yl)acetamide?
The InChIKey is HRKRRVWMJPGXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2/c1-5(2)4-7(6(3)14)13-8(15)9(10,11)12/h5,7H,4H2,1-3H3,(H,13,15).
What are the key properties of 2,2,2-trifluoro-N-(5-methyl-2-oxohexan-3-yl)acetamide?
2,2,2-trifluoro-N-(5-methyl-2-oxohexan-3-yl)acetamide has a molecular weight of 225.21 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(5-methyl-2-oxohexan-3-yl)acetamide is sourced from PubChem (CID 123478584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).