N-(2-cyclopropyl-2-hydroxyethyl)-2-(2,2,2-trifluoroethylamino)acetamide

C9H15F3N2O2 — CID 79260749

IUPACN-(2-cyclopropyl-2-hydroxyethyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)NCC(O)C1CC1
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)5-13-4-8(16)14-3-7(15)6-1-2-6/h6-7,13,15H,1-5H2,(H,14,16)
InChIKeyCOOZCJIMPNUBDE-UHFFFAOYSA-N
MW240.22 g/mol
LogP0.03
Rot. Bonds6

About N-(2-cyclopropyl-2-hydroxyethyl)-2-(2,2,2-trifluoroethylamino)acetamide

N-(2-cyclopropyl-2-hydroxyethyl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 79260749) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxyethyl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxyethyl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID79260749
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC NameN-(2-cyclopropyl-2-hydroxyethyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)NCC(O)C1CC1
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)5-13-4-8(16)14-3-7(15)6-1-2-6/h6-7,13,15H,1-5H2,(H,14,16)
InChIKeyCOOZCJIMPNUBDE-UHFFFAOYSA-N
XLogP0.03
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 79260749) is N-(2-cyclopropyl-2-hydroxyethyl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxyethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxyethyl)-2-(2,2,2-trifluoroethylamino)acetamide is O=C(CNCC(F)(F)F)NCC(O)C1CC1.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxyethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is COOZCJIMPNUBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c10-9(11,12)5-13-4-8(16)14-3-7(15)6-1-2-6/h6-7,13,15H,1-5H2,(H,14,16).
What are the key properties of N-(2-cyclopropyl-2-hydroxyethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-(2-cyclopropyl-2-hydroxyethyl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 240.22 g/mol, XLogP of 0.03, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxyethyl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 79260749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).