2-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide

C10H19F3N2O2 — CID 103774850

IUPAC2-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCC(C)(CCO)NCC(=O)NCC(F)(F)F
InChIInChI=1S/C10H19F3N2O2/c1-3-9(2,4-5-16)15-6-8(17)14-7-10(11,12)13/h15-16H,3-7H2,1-2H3,(H,14,17)
InChIKeyBPOUPERFGGQDCD-UHFFFAOYSA-N
MW256.27 g/mol
LogP0.81
Rot. Bonds7

About 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide

2-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 103774850) has the molecular formula C10H19F3N2O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID103774850
Molecular FormulaC10H19F3N2O2
Molecular Weight256.27 g/mol
Exact Mass256.14
IUPAC Name2-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCC(C)(CCO)NCC(=O)NCC(F)(F)F
InChIInChI=1S/C10H19F3N2O2/c1-3-9(2,4-5-16)15-6-8(17)14-7-10(11,12)13/h15-16H,3-7H2,1-2H3,(H,14,17)
InChIKeyBPOUPERFGGQDCD-UHFFFAOYSA-N
XLogP0.81
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 103774850) is 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide is CCC(C)(CCO)NCC(=O)NCC(F)(F)F.
What is the InChIKey of 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is BPOUPERFGGQDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2/c1-3-9(2,4-5-16)15-6-8(17)14-7-10(11,12)13/h15-16H,3-7H2,1-2H3,(H,14,17).
What are the key properties of 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 256.27 g/mol, XLogP of 0.81, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 103774850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).