2-(1-aminocyclobutyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide

C10H17F3N2O2 — CID 79853963

IUPAC2-(1-aminocyclobutyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
SMILESNC1(CC(=O)NCCOCC(F)(F)F)CCC1
InChIInChI=1S/C10H17F3N2O2/c11-10(12,13)7-17-5-4-15-8(16)6-9(14)2-1-3-9/h1-7,14H2,(H,15,16)
InChIKeyGAAQOLDPGVDNRL-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.95
Rot. Bonds6

About 2-(1-aminocyclobutyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide

2-(1-aminocyclobutyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide (PubChem CID 79853963) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 2-(1-aminocyclobutyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(1-aminocyclobutyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
PubChem CID79853963
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Name2-(1-aminocyclobutyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
SMILESNC1(CC(=O)NCCOCC(F)(F)F)CCC1
InChIInChI=1S/C10H17F3N2O2/c11-10(12,13)7-17-5-4-15-8(16)6-9(14)2-1-3-9/h1-7,14H2,(H,15,16)
InChIKeyGAAQOLDPGVDNRL-UHFFFAOYSA-N
XLogP0.95
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclobutyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide?
The IUPAC name of 2-(1-aminocyclobutyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide (CID 79853963) is 2-(1-aminocyclobutyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide.
What is the SMILES notation for 2-(1-aminocyclobutyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide?
The canonical SMILES for 2-(1-aminocyclobutyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide is NC1(CC(=O)NCCOCC(F)(F)F)CCC1.
What is the InChIKey of 2-(1-aminocyclobutyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide?
The InChIKey is GAAQOLDPGVDNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c11-10(12,13)7-17-5-4-15-8(16)6-9(14)2-1-3-9/h1-7,14H2,(H,15,16).
What are the key properties of 2-(1-aminocyclobutyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide?
2-(1-aminocyclobutyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide has a molecular weight of 254.25 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclobutyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide is sourced from PubChem (CID 79853963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).