2-[3-hydroxypropyl(propan-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide

C10H19F3N2O2 — CID 62022395

IUPAC2-[3-hydroxypropyl(propan-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)N(CCCO)CC(=O)NCC(F)(F)F
InChIInChI=1S/C10H19F3N2O2/c1-8(2)15(4-3-5-16)6-9(17)14-7-10(11,12)13/h8,16H,3-7H2,1-2H3,(H,14,17)
InChIKeyCZEZZMCBFPJKPV-UHFFFAOYSA-N
MW256.27 g/mol
LogP0.76
Rot. Bonds7

About 2-[3-hydroxypropyl(propan-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide

2-[3-hydroxypropyl(propan-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 62022395) has the molecular formula C10H19F3N2O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is 2-[3-hydroxypropyl(propan-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[3-hydroxypropyl(propan-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID62022395
Molecular FormulaC10H19F3N2O2
Molecular Weight256.27 g/mol
Exact Mass256.14
IUPAC Name2-[3-hydroxypropyl(propan-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)N(CCCO)CC(=O)NCC(F)(F)F
InChIInChI=1S/C10H19F3N2O2/c1-8(2)15(4-3-5-16)6-9(17)14-7-10(11,12)13/h8,16H,3-7H2,1-2H3,(H,14,17)
InChIKeyCZEZZMCBFPJKPV-UHFFFAOYSA-N
XLogP0.76
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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-[3-hydroxypropyl(propan-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[3-hydroxypropyl(propan-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 62022395) is 2-[3-hydroxypropyl(propan-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[3-hydroxypropyl(propan-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[3-hydroxypropyl(propan-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide is CC(C)N(CCCO)CC(=O)NCC(F)(F)F.
What is the InChIKey of 2-[3-hydroxypropyl(propan-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is CZEZZMCBFPJKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2/c1-8(2)15(4-3-5-16)6-9(17)14-7-10(11,12)13/h8,16H,3-7H2,1-2H3,(H,14,17).
What are the key properties of 2-[3-hydroxypropyl(propan-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[3-hydroxypropyl(propan-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 256.27 g/mol, XLogP of 0.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-hydroxypropyl(propan-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 62022395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).