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

C7H12F3NO — CID 21018647

IUPAC3-methyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCC(C)CC(=O)NCC(F)(F)F
InChIInChI=1S/C7H12F3NO/c1-5(2)3-6(12)11-4-7(8,9)10/h5H,3-4H2,1-2H3,(H,11,12)
InChIKeyPNEXFGQNZBGFFR-UHFFFAOYSA-N
MW183.17 g/mol
LogP1.71
Rot. Bonds3

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

3-methyl-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 21018647) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is 3-methyl-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name3-methyl-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID21018647
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name3-methyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCC(C)CC(=O)NCC(F)(F)F
InChIInChI=1S/C7H12F3NO/c1-5(2)3-6(12)11-4-7(8,9)10/h5H,3-4H2,1-2H3,(H,11,12)
InChIKeyPNEXFGQNZBGFFR-UHFFFAOYSA-N
XLogP1.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of 3-methyl-N-(2,2,2-trifluoroethyl)butanamide (CID 21018647) is 3-methyl-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for 3-methyl-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for 3-methyl-N-(2,2,2-trifluoroethyl)butanamide is CC(C)CC(=O)NCC(F)(F)F.
What is the InChIKey of 3-methyl-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is PNEXFGQNZBGFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO/c1-5(2)3-6(12)11-4-7(8,9)10/h5H,3-4H2,1-2H3,(H,11,12).
What are the key properties of 3-methyl-N-(2,2,2-trifluoroethyl)butanamide?
3-methyl-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 183.17 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 21018647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).