N-(2-hydroxyethyl)-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide

C9H17F3N2O2 — CID 60953734

IUPACN-(2-hydroxyethyl)-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)NCC(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c1-7(2)13-5-8(16)14(3-4-15)6-9(10,11)12/h7,13,15H,3-6H2,1-2H3
InChIKeyWDNDMDFJZBSIMZ-UHFFFAOYSA-N
MW242.24 g/mol
LogP0.37
Rot. Bonds6

About N-(2-hydroxyethyl)-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide

N-(2-hydroxyethyl)-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 60953734) has the molecular formula C9H17F3N2O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID60953734
Molecular FormulaC9H17F3N2O2
Molecular Weight242.24 g/mol
Exact Mass242.12
IUPAC NameN-(2-hydroxyethyl)-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)NCC(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c1-7(2)13-5-8(16)14(3-4-15)6-9(10,11)12/h7,13,15H,3-6H2,1-2H3
InChIKeyWDNDMDFJZBSIMZ-UHFFFAOYSA-N
XLogP0.37
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide (CID 60953734) is N-(2-hydroxyethyl)-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide is CC(C)NCC(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of N-(2-hydroxyethyl)-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is WDNDMDFJZBSIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2/c1-7(2)13-5-8(16)14(3-4-15)6-9(10,11)12/h7,13,15H,3-6H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide?
N-(2-hydroxyethyl)-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 242.24 g/mol, XLogP of 0.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 60953734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).