3-amino-3-methyl-N-(3,3,3-trifluoropropyl)butanamide

C8H15F3N2O — CID 64677657

IUPAC3-amino-3-methyl-N-(3,3,3-trifluoropropyl)butanamide
SMILESCC(C)(N)CC(=O)NCCC(F)(F)F
InChIInChI=1S/C8H15F3N2O/c1-7(2,12)5-6(14)13-4-3-8(9,10)11/h3-5,12H2,1-2H3,(H,13,14)
InChIKeyOQGWCTQTERPDMU-UHFFFAOYSA-N
MW212.21 g/mol
LogP1.18
Rot. Bonds4

About 3-amino-3-methyl-N-(3,3,3-trifluoropropyl)butanamide

3-amino-3-methyl-N-(3,3,3-trifluoropropyl)butanamide (PubChem CID 64677657) has the molecular formula C8H15F3N2O and a molecular weight of 212.21 g/mol. Its IUPAC name is 3-amino-3-methyl-N-(3,3,3-trifluoropropyl)butanamide.

Molecular Properties

Compound Name3-amino-3-methyl-N-(3,3,3-trifluoropropyl)butanamide
PubChem CID64677657
Molecular FormulaC8H15F3N2O
Molecular Weight212.21 g/mol
Exact Mass212.11
IUPAC Name3-amino-3-methyl-N-(3,3,3-trifluoropropyl)butanamide
SMILESCC(C)(N)CC(=O)NCCC(F)(F)F
InChIInChI=1S/C8H15F3N2O/c1-7(2,12)5-6(14)13-4-3-8(9,10)11/h3-5,12H2,1-2H3,(H,13,14)
InChIKeyOQGWCTQTERPDMU-UHFFFAOYSA-N
XLogP1.18
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-methyl-N-(3,3,3-trifluoropropyl)butanamide?
The IUPAC name of 3-amino-3-methyl-N-(3,3,3-trifluoropropyl)butanamide (CID 64677657) is 3-amino-3-methyl-N-(3,3,3-trifluoropropyl)butanamide.
What is the SMILES notation for 3-amino-3-methyl-N-(3,3,3-trifluoropropyl)butanamide?
The canonical SMILES for 3-amino-3-methyl-N-(3,3,3-trifluoropropyl)butanamide is CC(C)(N)CC(=O)NCCC(F)(F)F.
What is the InChIKey of 3-amino-3-methyl-N-(3,3,3-trifluoropropyl)butanamide?
The InChIKey is OQGWCTQTERPDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O/c1-7(2,12)5-6(14)13-4-3-8(9,10)11/h3-5,12H2,1-2H3,(H,13,14).
What are the key properties of 3-amino-3-methyl-N-(3,3,3-trifluoropropyl)butanamide?
3-amino-3-methyl-N-(3,3,3-trifluoropropyl)butanamide has a molecular weight of 212.21 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-methyl-N-(3,3,3-trifluoropropyl)butanamide is sourced from PubChem (CID 64677657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).