2-[butyl(2-hydroxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide

C10H19F3N2O2 — CID 60689235

IUPAC2-[butyl(2-hydroxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCCN(CCO)CC(=O)NCC(F)(F)F
InChIInChI=1S/C10H19F3N2O2/c1-2-3-4-15(5-6-16)7-9(17)14-8-10(11,12)13/h16H,2-8H2,1H3,(H,14,17)
InChIKeyMDBCQNXEJZJRPR-UHFFFAOYSA-N
MW256.27 g/mol
LogP0.76
Rot. Bonds8

About 2-[butyl(2-hydroxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide

2-[butyl(2-hydroxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 60689235) has the molecular formula C10H19F3N2O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is 2-[butyl(2-hydroxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[butyl(2-hydroxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID60689235
Molecular FormulaC10H19F3N2O2
Molecular Weight256.27 g/mol
Exact Mass256.14
IUPAC Name2-[butyl(2-hydroxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCCN(CCO)CC(=O)NCC(F)(F)F
InChIInChI=1S/C10H19F3N2O2/c1-2-3-4-15(5-6-16)7-9(17)14-8-10(11,12)13/h16H,2-8H2,1H3,(H,14,17)
InChIKeyMDBCQNXEJZJRPR-UHFFFAOYSA-N
XLogP0.76
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[butyl(2-hydroxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[butyl(2-hydroxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 60689235) is 2-[butyl(2-hydroxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[butyl(2-hydroxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[butyl(2-hydroxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide is CCCCN(CCO)CC(=O)NCC(F)(F)F.
What is the InChIKey of 2-[butyl(2-hydroxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is MDBCQNXEJZJRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2/c1-2-3-4-15(5-6-16)7-9(17)14-8-10(11,12)13/h16H,2-8H2,1H3,(H,14,17).
What are the key properties of 2-[butyl(2-hydroxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[butyl(2-hydroxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 256.27 g/mol, XLogP of 0.76, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(2-hydroxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 60689235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).