2-[3-(hydroxymethyl)pentan-3-ylamino]-N-(2,2,2-trifluoroethyl)acetamide

C10H19F3N2O2 — CID 62517442

IUPAC2-[3-(hydroxymethyl)pentan-3-ylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCC(CC)(CO)NCC(=O)NCC(F)(F)F
InChIInChI=1S/C10H19F3N2O2/c1-3-9(4-2,7-16)15-5-8(17)14-6-10(11,12)13/h15-16H,3-7H2,1-2H3,(H,14,17)
InChIKeyNZYKJRNEUGYWTJ-UHFFFAOYSA-N
MW256.27 g/mol
LogP0.81
Rot. Bonds7

About 2-[3-(hydroxymethyl)pentan-3-ylamino]-N-(2,2,2-trifluoroethyl)acetamide

2-[3-(hydroxymethyl)pentan-3-ylamino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 62517442) has the molecular formula C10H19F3N2O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is 2-[3-(hydroxymethyl)pentan-3-ylamino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[3-(hydroxymethyl)pentan-3-ylamino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID62517442
Molecular FormulaC10H19F3N2O2
Molecular Weight256.27 g/mol
Exact Mass256.14
IUPAC Name2-[3-(hydroxymethyl)pentan-3-ylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCC(CC)(CO)NCC(=O)NCC(F)(F)F
InChIInChI=1S/C10H19F3N2O2/c1-3-9(4-2,7-16)15-5-8(17)14-6-10(11,12)13/h15-16H,3-7H2,1-2H3,(H,14,17)
InChIKeyNZYKJRNEUGYWTJ-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-[3-(hydroxymethyl)pentan-3-ylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[3-(hydroxymethyl)pentan-3-ylamino]-N-(2,2,2-trifluoroethyl)acetamide (CID 62517442) is 2-[3-(hydroxymethyl)pentan-3-ylamino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[3-(hydroxymethyl)pentan-3-ylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[3-(hydroxymethyl)pentan-3-ylamino]-N-(2,2,2-trifluoroethyl)acetamide is CCC(CC)(CO)NCC(=O)NCC(F)(F)F.
What is the InChIKey of 2-[3-(hydroxymethyl)pentan-3-ylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is NZYKJRNEUGYWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2/c1-3-9(4-2,7-16)15-5-8(17)14-6-10(11,12)13/h15-16H,3-7H2,1-2H3,(H,14,17).
What are the key properties of 2-[3-(hydroxymethyl)pentan-3-ylamino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[3-(hydroxymethyl)pentan-3-ylamino]-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-[3-(hydroxymethyl)pentan-3-ylamino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 62517442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).