2-amino-3,3,3-trifluoro-N-(1-hydroxy-3-methylpentan-3-yl)-2-methylpropanamide

C10H19F3N2O2 — CID 106176103

IUPAC2-amino-3,3,3-trifluoro-N-(1-hydroxy-3-methylpentan-3-yl)-2-methylpropanamide
SMILESCCC(C)(CCO)NC(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C10H19F3N2O2/c1-4-8(2,5-6-16)15-7(17)9(3,14)10(11,12)13/h16H,4-6,14H2,1-3H3,(H,15,17)
InChIKeySCSXERGJJDKMPQ-UHFFFAOYSA-N
MW256.27 g/mol
LogP0.93
Rot. Bonds5

About 2-amino-3,3,3-trifluoro-N-(1-hydroxy-3-methylpentan-3-yl)-2-methylpropanamide

2-amino-3,3,3-trifluoro-N-(1-hydroxy-3-methylpentan-3-yl)-2-methylpropanamide (PubChem CID 106176103) 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-(1-hydroxy-3-methylpentan-3-yl)-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-N-(1-hydroxy-3-methylpentan-3-yl)-2-methylpropanamide
PubChem CID106176103
Molecular FormulaC10H19F3N2O2
Molecular Weight256.27 g/mol
Exact Mass256.14
IUPAC Name2-amino-3,3,3-trifluoro-N-(1-hydroxy-3-methylpentan-3-yl)-2-methylpropanamide
SMILESCCC(C)(CCO)NC(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C10H19F3N2O2/c1-4-8(2,5-6-16)15-7(17)9(3,14)10(11,12)13/h16H,4-6,14H2,1-3H3,(H,15,17)
InChIKeySCSXERGJJDKMPQ-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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Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-N-(1-hydroxy-3-methylpentan-3-yl)-2-methylpropanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-N-(1-hydroxy-3-methylpentan-3-yl)-2-methylpropanamide (CID 106176103) is 2-amino-3,3,3-trifluoro-N-(1-hydroxy-3-methylpentan-3-yl)-2-methylpropanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-N-(1-hydroxy-3-methylpentan-3-yl)-2-methylpropanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-N-(1-hydroxy-3-methylpentan-3-yl)-2-methylpropanamide is CCC(C)(CCO)NC(=O)C(C)(N)C(F)(F)F.
What is the InChIKey of 2-amino-3,3,3-trifluoro-N-(1-hydroxy-3-methylpentan-3-yl)-2-methylpropanamide?
The InChIKey is SCSXERGJJDKMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2/c1-4-8(2,5-6-16)15-7(17)9(3,14)10(11,12)13/h16H,4-6,14H2,1-3H3,(H,15,17).
What are the key properties of 2-amino-3,3,3-trifluoro-N-(1-hydroxy-3-methylpentan-3-yl)-2-methylpropanamide?
2-amino-3,3,3-trifluoro-N-(1-hydroxy-3-methylpentan-3-yl)-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-(1-hydroxy-3-methylpentan-3-yl)-2-methylpropanamide is sourced from PubChem (CID 106176103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).