2-methyl-N-(2,2,2-trifluoroethyl)propanamide

C6H10F3NO — CID 23388571

IUPAC2-methyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C)C(=O)NCC(F)(F)F
InChIInChI=1S/C6H10F3NO/c1-4(2)5(11)10-3-6(7,8)9/h4H,3H2,1-2H3,(H,10,11)
InChIKeyFHHXJYMULUGXFG-UHFFFAOYSA-N
MW169.15 g/mol
LogP1.32
Rot. Bonds2

About 2-methyl-N-(2,2,2-trifluoroethyl)propanamide

2-methyl-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 23388571) has the molecular formula C6H10F3NO and a molecular weight of 169.15 g/mol. Its IUPAC name is 2-methyl-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID23388571
Molecular FormulaC6H10F3NO
Molecular Weight169.15 g/mol
Exact Mass169.07
IUPAC Name2-methyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C)C(=O)NCC(F)(F)F
InChIInChI=1S/C6H10F3NO/c1-4(2)5(11)10-3-6(7,8)9/h4H,3H2,1-2H3,(H,10,11)
InChIKeyFHHXJYMULUGXFG-UHFFFAOYSA-N
XLogP1.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.15
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-Isobutylacetamide
CID 137071
2,2,2-Trifluoro-N-isopropylacetamide
CID 2305253
2,2,3,3,4,4,4-Heptafluoro-N-(2-methylpropyl)butanamide
CID 534742
N-ethyl-2,2,3,3,4,4,4-heptafluorobutanamide
CID 4218327
N-Butyltrifluoroacetamide
CID 283366
n-Butyl-2,2,3,3,4,4,4-heptafluorobutanamide
CID 614617
2,2,3,3,4,4,4-Heptafluoro-n-propylbutanamide
CID 614782
2,2,2-Trifluoro-n-propylacetamide
CID 580996
Acetamide, 2,2,2-trifluoro-N-(2-methylpropyl)-
CID 581281
Acetamide, 2-fluoro-N-isobutyl-
CID 9733
2,2,2-Trifluoro-n-pentylacetamide
CID 580920
Isopropylamine, N-pentafluoropropionyl-
CID 3578709

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-methyl-N-(2,2,2-trifluoroethyl)propanamide (CID 23388571) is 2-methyl-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-methyl-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-methyl-N-(2,2,2-trifluoroethyl)propanamide is CC(C)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-methyl-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is FHHXJYMULUGXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO/c1-4(2)5(11)10-3-6(7,8)9/h4H,3H2,1-2H3,(H,10,11).
What are the key properties of 2-methyl-N-(2,2,2-trifluoroethyl)propanamide?
2-methyl-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 169.15 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 23388571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).