2-amino-3,3,3-trifluoro-N-(2-hydroxy-2-methylpentyl)-2-methylpropanamide

C10H19F3N2O2 — CID 114169327

IUPAC2-amino-3,3,3-trifluoro-N-(2-hydroxy-2-methylpentyl)-2-methylpropanamide
SMILESCCCC(C)(O)CNC(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C10H19F3N2O2/c1-4-5-8(2,17)6-15-7(16)9(3,14)10(11,12)13/h17H,4-6,14H2,1-3H3,(H,15,16)
InChIKeyRZBWROBGNLMYCU-UHFFFAOYSA-N
MW256.27 g/mol
LogP0.93
Rot. Bonds5

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

2-amino-3,3,3-trifluoro-N-(2-hydroxy-2-methylpentyl)-2-methylpropanamide (PubChem CID 114169327) has the molecular formula C10H19F3N2O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-N-(2-hydroxy-2-methylpentyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-N-(2-hydroxy-2-methylpentyl)-2-methylpropanamide
PubChem CID114169327
Molecular FormulaC10H19F3N2O2
Molecular Weight256.27 g/mol
Exact Mass256.14
IUPAC Name2-amino-3,3,3-trifluoro-N-(2-hydroxy-2-methylpentyl)-2-methylpropanamide
SMILESCCCC(C)(O)CNC(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C10H19F3N2O2/c1-4-5-8(2,17)6-15-7(16)9(3,14)10(11,12)13/h17H,4-6,14H2,1-3H3,(H,15,16)
InChIKeyRZBWROBGNLMYCU-UHFFFAOYSA-N
XLogP0.93
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-2-ethyl-N-(2-hydroxy-2-methylpentyl)butanamide
CID 114169342
2-amino-3,3,3-trifluoro-2-methyl-N-propylpropanamide
CID 79789702
2-amino-3,3,3-trifluoro-2-methyl-N-pentylpropanamide
CID 79796676
2-amino-N-(2-hydroxy-2-methylpropyl)-2-methylpentanamide
CID 65107360
1-(aminomethyl)-N-(2-hydroxy-2-methylpentyl)cyclobutane-1-carboxamide
CID 106292120
N-(2-hydroxy-2-methylpentyl)-2-methyl-3-(methylamino)propanamide
CID 106292285
2-amino-N-(2-hydroxy-2-methylbutyl)-2-methylbutanamide
CID 79811592
2-amino-3,3,3-trifluoro-2-methyl-N-pentan-2-ylpropanamide
CID 79790165
3-amino-N-(2-hydroxy-2-methylpentyl)-4-methylpentanamide
CID 106292069
(2R)-2-amino-N-(2-hydroxy-2-methylpentyl)-4-methylpentanamide
CID 106292244
3-[(2-hydroxy-2-methylpentyl)amino]-2-methyl-3-oxopropanoic acid
CID 106295623
4-fluoro-N-(2-hydroxy-2-methylpentyl)benzamide
CID 113240357

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-N-(2-hydroxy-2-methylpentyl)-2-methylpropanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-N-(2-hydroxy-2-methylpentyl)-2-methylpropanamide (CID 114169327) is 2-amino-3,3,3-trifluoro-N-(2-hydroxy-2-methylpentyl)-2-methylpropanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-N-(2-hydroxy-2-methylpentyl)-2-methylpropanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-N-(2-hydroxy-2-methylpentyl)-2-methylpropanamide is CCCC(C)(O)CNC(=O)C(C)(N)C(F)(F)F.
What is the InChIKey of 2-amino-3,3,3-trifluoro-N-(2-hydroxy-2-methylpentyl)-2-methylpropanamide?
The InChIKey is RZBWROBGNLMYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2/c1-4-5-8(2,17)6-15-7(16)9(3,14)10(11,12)13/h17H,4-6,14H2,1-3H3,(H,15,16).
What are the key properties of 2-amino-3,3,3-trifluoro-N-(2-hydroxy-2-methylpentyl)-2-methylpropanamide?
2-amino-3,3,3-trifluoro-N-(2-hydroxy-2-methylpentyl)-2-methylpropanamide has a molecular weight of 256.27 g/mol, XLogP of 0.93, 5 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-2-methylpentyl)-2-methylpropanamide is sourced from PubChem (CID 114169327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).