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

C9H15F3N2O2 — CID 63298847

IUPAC2-[(2-cyclopropyl-2-hydroxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNCC(O)C1CC1)NCC(F)(F)F
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)5-14-8(16)4-13-3-7(15)6-1-2-6/h6-7,13,15H,1-5H2,(H,14,16)
InChIKeyNYKVDEDOHUETJN-UHFFFAOYSA-N
MW240.22 g/mol
LogP0.03
Rot. Bonds6

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

2-[(2-cyclopropyl-2-hydroxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 63298847) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 2-[(2-cyclopropyl-2-hydroxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(2-cyclopropyl-2-hydroxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID63298847
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Name2-[(2-cyclopropyl-2-hydroxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNCC(O)C1CC1)NCC(F)(F)F
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)5-14-8(16)4-13-3-7(15)6-1-2-6/h6-7,13,15H,1-5H2,(H,14,16)
InChIKeyNYKVDEDOHUETJN-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 2-[(2-cyclopropyl-2-hydroxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(2-cyclopropyl-2-hydroxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 63298847) is 2-[(2-cyclopropyl-2-hydroxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(2-cyclopropyl-2-hydroxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(2-cyclopropyl-2-hydroxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide is O=C(CNCC(O)C1CC1)NCC(F)(F)F.
What is the InChIKey of 2-[(2-cyclopropyl-2-hydroxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is NYKVDEDOHUETJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c10-9(11,12)5-14-8(16)4-13-3-7(15)6-1-2-6/h6-7,13,15H,1-5H2,(H,14,16).
What are the key properties of 2-[(2-cyclopropyl-2-hydroxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(2-cyclopropyl-2-hydroxyethyl)amino]-N-(2,2,2-trifluoroethyl)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 2-[(2-cyclopropyl-2-hydroxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 63298847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).