2-[(3-methoxycyclobutyl)amino]-N-(2,2,2-trifluoroethyl)acetamide

C9H15F3N2O2 — CID 104871181

IUPAC2-[(3-methoxycyclobutyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCOC1CC(NCC(=O)NCC(F)(F)F)C1
InChIInChI=1S/C9H15F3N2O2/c1-16-7-2-6(3-7)13-4-8(15)14-5-9(10,11)12/h6-7,13H,2-5H2,1H3,(H,14,15)
InChIKeyNYIOWAMQSWQIBM-UHFFFAOYSA-N
MW240.22 g/mol
LogP0.43
Rot. Bonds5

About 2-[(3-methoxycyclobutyl)amino]-N-(2,2,2-trifluoroethyl)acetamide

2-[(3-methoxycyclobutyl)amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 104871181) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 2-[(3-methoxycyclobutyl)amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(3-methoxycyclobutyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID104871181
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Name2-[(3-methoxycyclobutyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCOC1CC(NCC(=O)NCC(F)(F)F)C1
InChIInChI=1S/C9H15F3N2O2/c1-16-7-2-6(3-7)13-4-8(15)14-5-9(10,11)12/h6-7,13H,2-5H2,1H3,(H,14,15)
InChIKeyNYIOWAMQSWQIBM-UHFFFAOYSA-N
XLogP0.43
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxycyclobutyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(3-methoxycyclobutyl)amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 104871181) is 2-[(3-methoxycyclobutyl)amino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(3-methoxycyclobutyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(3-methoxycyclobutyl)amino]-N-(2,2,2-trifluoroethyl)acetamide is COC1CC(NCC(=O)NCC(F)(F)F)C1.
What is the InChIKey of 2-[(3-methoxycyclobutyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is NYIOWAMQSWQIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c1-16-7-2-6(3-7)13-4-8(15)14-5-9(10,11)12/h6-7,13H,2-5H2,1H3,(H,14,15).
What are the key properties of 2-[(3-methoxycyclobutyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(3-methoxycyclobutyl)amino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 240.22 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxycyclobutyl)amino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 104871181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).