2-hydroxy-3-methyl-N-propan-2-yl-2-(trifluoromethyl)butanamide

C9H16F3NO2 — CID 59749606

IUPAC2-hydroxy-3-methyl-N-propan-2-yl-2-(trifluoromethyl)butanamide
SMILESCC(C)NC(=O)C(O)(C(C)C)C(F)(F)F
InChIInChI=1S/C9H16F3NO2/c1-5(2)8(15,9(10,11)12)7(14)13-6(3)4/h5-6,15H,1-4H3,(H,13,14)
InChIKeyTXAKBOVDGCZPSF-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.46
Rot. Bonds3

About 2-hydroxy-3-methyl-N-propan-2-yl-2-(trifluoromethyl)butanamide

2-hydroxy-3-methyl-N-propan-2-yl-2-(trifluoromethyl)butanamide (PubChem CID 59749606) has the molecular formula C9H16F3NO2 and a molecular weight of 227.23 g/mol. Its IUPAC name is 2-hydroxy-3-methyl-N-propan-2-yl-2-(trifluoromethyl)butanamide.

Molecular Properties

Compound Name2-hydroxy-3-methyl-N-propan-2-yl-2-(trifluoromethyl)butanamide
PubChem CID59749606
Molecular FormulaC9H16F3NO2
Molecular Weight227.23 g/mol
Exact Mass227.11
IUPAC Name2-hydroxy-3-methyl-N-propan-2-yl-2-(trifluoromethyl)butanamide
SMILESCC(C)NC(=O)C(O)(C(C)C)C(F)(F)F
InChIInChI=1S/C9H16F3NO2/c1-5(2)8(15,9(10,11)12)7(14)13-6(3)4/h5-6,15H,1-4H3,(H,13,14)
InChIKeyTXAKBOVDGCZPSF-UHFFFAOYSA-N
XLogP1.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methyl-N-propan-2-yl-2-(trifluoromethyl)butanamide?
The IUPAC name of 2-hydroxy-3-methyl-N-propan-2-yl-2-(trifluoromethyl)butanamide (CID 59749606) is 2-hydroxy-3-methyl-N-propan-2-yl-2-(trifluoromethyl)butanamide.
What is the SMILES notation for 2-hydroxy-3-methyl-N-propan-2-yl-2-(trifluoromethyl)butanamide?
The canonical SMILES for 2-hydroxy-3-methyl-N-propan-2-yl-2-(trifluoromethyl)butanamide is CC(C)NC(=O)C(O)(C(C)C)C(F)(F)F.
What is the InChIKey of 2-hydroxy-3-methyl-N-propan-2-yl-2-(trifluoromethyl)butanamide?
The InChIKey is TXAKBOVDGCZPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2/c1-5(2)8(15,9(10,11)12)7(14)13-6(3)4/h5-6,15H,1-4H3,(H,13,14).
What are the key properties of 2-hydroxy-3-methyl-N-propan-2-yl-2-(trifluoromethyl)butanamide?
2-hydroxy-3-methyl-N-propan-2-yl-2-(trifluoromethyl)butanamide has a molecular weight of 227.23 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methyl-N-propan-2-yl-2-(trifluoromethyl)butanamide is sourced from PubChem (CID 59749606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).