2-amino-3,3,3-trifluoro-N-(2-hydroxy-4,4-dimethylpentyl)-2-methylpropanamide

C11H21F3N2O2 — CID 107152833

IUPAC2-amino-3,3,3-trifluoro-N-(2-hydroxy-4,4-dimethylpentyl)-2-methylpropanamide
SMILESCC(C)(C)CC(O)CNC(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C11H21F3N2O2/c1-9(2,3)5-7(17)6-16-8(18)10(4,15)11(12,13)14/h7,17H,5-6,15H2,1-4H3,(H,16,18)
InChIKeyGPNOFJGBEJFATJ-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.18
Rot. Bonds4

About 2-amino-3,3,3-trifluoro-N-(2-hydroxy-4,4-dimethylpentyl)-2-methylpropanamide

2-amino-3,3,3-trifluoro-N-(2-hydroxy-4,4-dimethylpentyl)-2-methylpropanamide (PubChem CID 107152833) has the molecular formula C11H21F3N2O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-N-(2-hydroxy-4,4-dimethylpentyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-N-(2-hydroxy-4,4-dimethylpentyl)-2-methylpropanamide
PubChem CID107152833
Molecular FormulaC11H21F3N2O2
Molecular Weight270.29 g/mol
Exact Mass270.16
IUPAC Name2-amino-3,3,3-trifluoro-N-(2-hydroxy-4,4-dimethylpentyl)-2-methylpropanamide
SMILESCC(C)(C)CC(O)CNC(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C11H21F3N2O2/c1-9(2,3)5-7(17)6-16-8(18)10(4,15)11(12,13)14/h7,17H,5-6,15H2,1-4H3,(H,16,18)
InChIKeyGPNOFJGBEJFATJ-UHFFFAOYSA-N
XLogP1.18
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-N-(2-hydroxy-4,4-dimethylpentyl)-2-methylpropanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-N-(2-hydroxy-4,4-dimethylpentyl)-2-methylpropanamide (CID 107152833) is 2-amino-3,3,3-trifluoro-N-(2-hydroxy-4,4-dimethylpentyl)-2-methylpropanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-N-(2-hydroxy-4,4-dimethylpentyl)-2-methylpropanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-N-(2-hydroxy-4,4-dimethylpentyl)-2-methylpropanamide is CC(C)(C)CC(O)CNC(=O)C(C)(N)C(F)(F)F.
What is the InChIKey of 2-amino-3,3,3-trifluoro-N-(2-hydroxy-4,4-dimethylpentyl)-2-methylpropanamide?
The InChIKey is GPNOFJGBEJFATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O2/c1-9(2,3)5-7(17)6-16-8(18)10(4,15)11(12,13)14/h7,17H,5-6,15H2,1-4H3,(H,16,18).
What are the key properties of 2-amino-3,3,3-trifluoro-N-(2-hydroxy-4,4-dimethylpentyl)-2-methylpropanamide?
2-amino-3,3,3-trifluoro-N-(2-hydroxy-4,4-dimethylpentyl)-2-methylpropanamide has a molecular weight of 270.29 g/mol, XLogP of 1.18, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trifluoro-N-(2-hydroxy-4,4-dimethylpentyl)-2-methylpropanamide is sourced from PubChem (CID 107152833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).