1-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutane-1-carboxamide

C9H15F3N2O2 — CID 81168601

IUPAC1-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutane-1-carboxamide
SMILESNC1(C(=O)NCCOCC(F)(F)F)CCC1
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)6-16-5-4-14-7(15)8(13)2-1-3-8/h1-6,13H2,(H,14,15)
InChIKeyADLVZWIMFRTUEG-UHFFFAOYSA-N
MW240.22 g/mol
LogP0.56
Rot. Bonds5

About 1-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutane-1-carboxamide

1-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutane-1-carboxamide (PubChem CID 81168601) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 1-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutane-1-carboxamide
PubChem CID81168601
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Name1-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutane-1-carboxamide
SMILESNC1(C(=O)NCCOCC(F)(F)F)CCC1
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)6-16-5-4-14-7(15)8(13)2-1-3-8/h1-6,13H2,(H,14,15)
InChIKeyADLVZWIMFRTUEG-UHFFFAOYSA-N
XLogP0.56
TPSA64.35 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 ≤ 50.56
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 1-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutane-1-carboxamide (CID 81168601) is 1-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutane-1-carboxamide is NC1(C(=O)NCCOCC(F)(F)F)CCC1.
What is the InChIKey of 1-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutane-1-carboxamide?
The InChIKey is ADLVZWIMFRTUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c10-9(11,12)6-16-5-4-14-7(15)8(13)2-1-3-8/h1-6,13H2,(H,14,15).
What are the key properties of 1-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutane-1-carboxamide?
1-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutane-1-carboxamide has a molecular weight of 240.22 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 81168601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).