2-amino-N-(2-cyclopropyl-2-hydroxyethyl)-3,3,3-trifluoro-2-methylpropanamide

C9H15F3N2O2 — CID 79811678

IUPAC2-amino-N-(2-cyclopropyl-2-hydroxyethyl)-3,3,3-trifluoro-2-methylpropanamide
SMILESCC(N)(C(=O)NCC(O)C1CC1)C(F)(F)F
InChIInChI=1S/C9H15F3N2O2/c1-8(13,9(10,11)12)7(16)14-4-6(15)5-2-3-5/h5-6,15H,2-4,13H2,1H3,(H,14,16)
InChIKeyCOMKTZMXLXIXDA-UHFFFAOYSA-N
MW240.22 g/mol
LogP0.15
Rot. Bonds4

About 2-amino-N-(2-cyclopropyl-2-hydroxyethyl)-3,3,3-trifluoro-2-methylpropanamide

2-amino-N-(2-cyclopropyl-2-hydroxyethyl)-3,3,3-trifluoro-2-methylpropanamide (PubChem CID 79811678) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 2-amino-N-(2-cyclopropyl-2-hydroxyethyl)-3,3,3-trifluoro-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-(2-cyclopropyl-2-hydroxyethyl)-3,3,3-trifluoro-2-methylpropanamide
PubChem CID79811678
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Name2-amino-N-(2-cyclopropyl-2-hydroxyethyl)-3,3,3-trifluoro-2-methylpropanamide
SMILESCC(N)(C(=O)NCC(O)C1CC1)C(F)(F)F
InChIInChI=1S/C9H15F3N2O2/c1-8(13,9(10,11)12)7(16)14-4-6(15)5-2-3-5/h5-6,15H,2-4,13H2,1H3,(H,14,16)
InChIKeyCOMKTZMXLXIXDA-UHFFFAOYSA-N
XLogP0.15
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-cyclopropyl-2-hydroxyethyl)-3,3,3-trifluoro-2-methylpropanamide?
The IUPAC name of 2-amino-N-(2-cyclopropyl-2-hydroxyethyl)-3,3,3-trifluoro-2-methylpropanamide (CID 79811678) is 2-amino-N-(2-cyclopropyl-2-hydroxyethyl)-3,3,3-trifluoro-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-(2-cyclopropyl-2-hydroxyethyl)-3,3,3-trifluoro-2-methylpropanamide?
The canonical SMILES for 2-amino-N-(2-cyclopropyl-2-hydroxyethyl)-3,3,3-trifluoro-2-methylpropanamide is CC(N)(C(=O)NCC(O)C1CC1)C(F)(F)F.
What is the InChIKey of 2-amino-N-(2-cyclopropyl-2-hydroxyethyl)-3,3,3-trifluoro-2-methylpropanamide?
The InChIKey is COMKTZMXLXIXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c1-8(13,9(10,11)12)7(16)14-4-6(15)5-2-3-5/h5-6,15H,2-4,13H2,1H3,(H,14,16).
What are the key properties of 2-amino-N-(2-cyclopropyl-2-hydroxyethyl)-3,3,3-trifluoro-2-methylpropanamide?
2-amino-N-(2-cyclopropyl-2-hydroxyethyl)-3,3,3-trifluoro-2-methylpropanamide has a molecular weight of 240.22 g/mol, XLogP of 0.15, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-cyclopropyl-2-hydroxyethyl)-3,3,3-trifluoro-2-methylpropanamide is sourced from PubChem (CID 79811678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).