3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide

C8H14F3NO — CID 59613586

IUPAC3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCC(C)(C)CC(=O)NCC(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-7(2,3)4-6(13)12-5-8(9,10)11/h4-5H2,1-3H3,(H,12,13)
InChIKeyWMYMXHHKZGPKBB-UHFFFAOYSA-N
MW197.20 g/mol
LogP2.10
Rot. Bonds2

About 3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide

3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 59613586) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID59613586
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCC(C)(C)CC(=O)NCC(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-7(2,3)4-6(13)12-5-8(9,10)11/h4-5H2,1-3H3,(H,12,13)
InChIKeyWMYMXHHKZGPKBB-UHFFFAOYSA-N
XLogP2.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2,3,3,4,4,4-Heptafluoro-N-(2-methylpropyl)butanamide
CID 534742
n-Butyl-2,2,3,3,4,4,4-heptafluorobutanamide
CID 614617
2,2,3,3,4,4,4-Heptafluoro-n-pentylbutanamide
CID 614724
2,2,3,3,4,4,4-Heptafluoro-n-propylbutanamide
CID 614782
N-(2-Butyl)heptafluorobutyramide
CID 617516
N-butyl-2,2-difluoropropanamide
CID 88580779
Pentafluoropropanamide, N-3-methylbutyl-
CID 91727024
2,2,2-Trifluoro-N-isopentylacetamide
CID 544344
2,2,2-Trifluoro-N-(2-methylbutyl)acetamide
CID 581466
4-Methyl-4-(trifluoromethyl)pyrrolidin-2-one
CID 105433259
N-butan-2-yl-2,2-bis(trifluoromethyl)butanamide
CID 3326094
3,3,3-trifluoro-2-methyl-N-(2-methylpropyl)-2-(trifluoromethyl)propanamide
CID 3516856

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of 3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide (CID 59613586) is 3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for 3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for 3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide is CC(C)(C)CC(=O)NCC(F)(F)F.
What is the InChIKey of 3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is WMYMXHHKZGPKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-7(2,3)4-6(13)12-5-8(9,10)11/h4-5H2,1-3H3,(H,12,13).
What are the key properties of 3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide?
3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 197.20 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 59613586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).