3,3-dimethyl-2-(trifluoromethyl)butanamide

C7H12F3NO — CID 138970520

IUPAC3,3-dimethyl-2-(trifluoromethyl)butanamide
SMILESCC(C)(C)C(C(N)=O)C(F)(F)F
InChIInChI=1S/C7H12F3NO/c1-6(2,3)4(5(11)12)7(8,9)10/h4H,1-3H3,(H2,11,12)
InChIKeyVNTDTMCOUUTYTE-UHFFFAOYSA-N
MW183.17 g/mol
LogP1.70
Rot. Bonds1

About 3,3-dimethyl-2-(trifluoromethyl)butanamide

3,3-dimethyl-2-(trifluoromethyl)butanamide (PubChem CID 138970520) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is 3,3-dimethyl-2-(trifluoromethyl)butanamide.

Molecular Properties

Compound Name3,3-dimethyl-2-(trifluoromethyl)butanamide
PubChem CID138970520
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name3,3-dimethyl-2-(trifluoromethyl)butanamide
SMILESCC(C)(C)C(C(N)=O)C(F)(F)F
InChIInChI=1S/C7H12F3NO/c1-6(2,3)4(5(11)12)7(8,9)10/h4H,1-3H3,(H2,11,12)
InChIKeyVNTDTMCOUUTYTE-UHFFFAOYSA-N
XLogP1.70
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-Methyl-2-(trifluoromethyl)butanamide
CID 59458991
2,2,3-Trimethylbutanamide
CID 228075
2-Ethyl-4,4,4-trifluorobutanamide
CID 9989636
2-Methyl-4,4,4-trifluorobutyramide
CID 10080598
4,4,4-Trifluoro-2,2-dimethylbutanamide
CID 10080782
Butanamide, 4,4,4-trifluoro-3-methyl-
CID 11819257
2-(Trifluoromethyl)butanamide
CID 53943963
2-Fluoro-3,3-dimethylbutanamide
CID 59170338
(2S)-4,4,4-trifluoro-2-propan-2-ylbutanamide
CID 59458421
4,4,4-Trifluoro-2-propan-2-ylbutanamide
CID 59458547
(2S)-3-methyl-2-(trifluoromethyl)butanamide
CID 59458694
(2R)-4,4,4-trifluoro-2-propan-2-ylbutanamide
CID 59459083

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-(trifluoromethyl)butanamide?
The IUPAC name of 3,3-dimethyl-2-(trifluoromethyl)butanamide (CID 138970520) is 3,3-dimethyl-2-(trifluoromethyl)butanamide.
What is the SMILES notation for 3,3-dimethyl-2-(trifluoromethyl)butanamide?
The canonical SMILES for 3,3-dimethyl-2-(trifluoromethyl)butanamide is CC(C)(C)C(C(N)=O)C(F)(F)F.
What is the InChIKey of 3,3-dimethyl-2-(trifluoromethyl)butanamide?
The InChIKey is VNTDTMCOUUTYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO/c1-6(2,3)4(5(11)12)7(8,9)10/h4H,1-3H3,(H2,11,12).
What are the key properties of 3,3-dimethyl-2-(trifluoromethyl)butanamide?
3,3-dimethyl-2-(trifluoromethyl)butanamide has a molecular weight of 183.17 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-(trifluoromethyl)butanamide is sourced from PubChem (CID 138970520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).