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

C8H15F3N2O — CID 53733314

IUPAC(2S)-2-amino-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCC(C)(C)[C@@H](C(=O)NCC(F)(F)F)N
InChIInChI=1S/C8H15F3N2O/c1-7(2,3)5(12)6(14)13-4-8(9,10)11/h5H,4,12H2,1-3H3,(H,13,14)/t5-/m1/s1
InChIKeyCPKFEQXFJKNNID-RXMQYKEDSA-N
MW212.21 g/mol
LogP1.50
Rot. Bonds3

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

(2S)-2-amino-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 53733314) has the molecular formula C8H15F3N2O and a molecular weight of 212.21 g/mol. Its IUPAC name is (2S)-2-amino-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID53733314
Molecular FormulaC8H15F3N2O
Molecular Weight212.21 g/mol
Exact Mass212.11
IUPAC Name(2S)-2-amino-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCC(C)(C)[C@@H](C(=O)NCC(F)(F)F)N
InChIInChI=1S/C8H15F3N2O/c1-7(2,3)5(12)6(14)13-4-8(9,10)11/h5H,4,12H2,1-3H3,(H,13,14)/t5-/m1/s1
InChIKeyCPKFEQXFJKNNID-RXMQYKEDSA-N
XLogP1.50
TPSA55.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity208

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of (2S)-2-amino-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide (CID 53733314) is (2S)-2-amino-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for (2S)-2-amino-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for (2S)-2-amino-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide is CC(C)(C)[C@@H](C(=O)NCC(F)(F)F)N.
What is the InChIKey of (2S)-2-amino-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is CPKFEQXFJKNNID-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H15F3N2O/c1-7(2,3)5(12)6(14)13-4-8(9,10)11/h5H,4,12H2,1-3H3,(H,13,14)/t5-/m1/s1.
What are the key properties of (2S)-2-amino-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide?
(2S)-2-amino-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 212.21 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 53733314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).