2-[2-hydroxyethyl(pentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide

C11H21F3N2O2 — CID 62015277

IUPAC2-[2-hydroxyethyl(pentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCC(CC)N(CCO)CC(=O)NCC(F)(F)F
InChIInChI=1S/C11H21F3N2O2/c1-3-9(4-2)16(5-6-17)7-10(18)15-8-11(12,13)14/h9,17H,3-8H2,1-2H3,(H,15,18)
InChIKeyNWZFCDUULPRZCM-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.15
Rot. Bonds8

About 2-[2-hydroxyethyl(pentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide

2-[2-hydroxyethyl(pentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 62015277) has the molecular formula C11H21F3N2O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(pentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[2-hydroxyethyl(pentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID62015277
Molecular FormulaC11H21F3N2O2
Molecular Weight270.29 g/mol
Exact Mass270.16
IUPAC Name2-[2-hydroxyethyl(pentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCC(CC)N(CCO)CC(=O)NCC(F)(F)F
InChIInChI=1S/C11H21F3N2O2/c1-3-9(4-2)16(5-6-17)7-10(18)15-8-11(12,13)14/h9,17H,3-8H2,1-2H3,(H,15,18)
InChIKeyNWZFCDUULPRZCM-UHFFFAOYSA-N
XLogP1.15
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(pentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[2-hydroxyethyl(pentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 62015277) is 2-[2-hydroxyethyl(pentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[2-hydroxyethyl(pentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[2-hydroxyethyl(pentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide is CCC(CC)N(CCO)CC(=O)NCC(F)(F)F.
What is the InChIKey of 2-[2-hydroxyethyl(pentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is NWZFCDUULPRZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O2/c1-3-9(4-2)16(5-6-17)7-10(18)15-8-11(12,13)14/h9,17H,3-8H2,1-2H3,(H,15,18).
What are the key properties of 2-[2-hydroxyethyl(pentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[2-hydroxyethyl(pentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 270.29 g/mol, XLogP of 1.15, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(pentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 62015277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).