1-amino-3-ethoxy-2,2-dimethyl-N-(2,2,3,3-tetrafluoropropyl)cyclobutane-1-carboxamide

C12H20F4N2O2 — CID 106291837

IUPAC1-amino-3-ethoxy-2,2-dimethyl-N-(2,2,3,3-tetrafluoropropyl)cyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)NCC(F)(F)C(F)F)C1(C)C
InChIInChI=1S/C12H20F4N2O2/c1-4-20-7-5-11(17,10(7,2)3)9(19)18-6-12(15,16)8(13)14/h7-8H,4-6,17H2,1-3H3,(H,18,19)
InChIKeyJUZCMAKYKUOJCP-UHFFFAOYSA-N
MW300.30 g/mol
LogP1.54
Rot. Bonds6

About 1-amino-3-ethoxy-2,2-dimethyl-N-(2,2,3,3-tetrafluoropropyl)cyclobutane-1-carboxamide

1-amino-3-ethoxy-2,2-dimethyl-N-(2,2,3,3-tetrafluoropropyl)cyclobutane-1-carboxamide (PubChem CID 106291837) has the molecular formula C12H20F4N2O2 and a molecular weight of 300.30 g/mol. Its IUPAC name is 1-amino-3-ethoxy-2,2-dimethyl-N-(2,2,3,3-tetrafluoropropyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-ethoxy-2,2-dimethyl-N-(2,2,3,3-tetrafluoropropyl)cyclobutane-1-carboxamide
PubChem CID106291837
Molecular FormulaC12H20F4N2O2
Molecular Weight300.30 g/mol
Exact Mass300.15
IUPAC Name1-amino-3-ethoxy-2,2-dimethyl-N-(2,2,3,3-tetrafluoropropyl)cyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)NCC(F)(F)C(F)F)C1(C)C
InChIInChI=1S/C12H20F4N2O2/c1-4-20-7-5-11(17,10(7,2)3)9(19)18-6-12(15,16)8(13)14/h7-8H,4-6,17H2,1-3H3,(H,18,19)
InChIKeyJUZCMAKYKUOJCP-UHFFFAOYSA-N
XLogP1.54
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.30
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-amino-3-ethoxy-2,2-dimethyl-N-(2,2,3,3-tetrafluoropropyl)cyclobutane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-ethoxy-2,2-dimethyl-N-(2,2,3,3-tetrafluoropropyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-amino-3-ethoxy-2,2-dimethyl-N-(2,2,3,3-tetrafluoropropyl)cyclobutane-1-carboxamide (CID 106291837) is 1-amino-3-ethoxy-2,2-dimethyl-N-(2,2,3,3-tetrafluoropropyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-3-ethoxy-2,2-dimethyl-N-(2,2,3,3-tetrafluoropropyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-3-ethoxy-2,2-dimethyl-N-(2,2,3,3-tetrafluoropropyl)cyclobutane-1-carboxamide is CCOC1CC(N)(C(=O)NCC(F)(F)C(F)F)C1(C)C.
What is the InChIKey of 1-amino-3-ethoxy-2,2-dimethyl-N-(2,2,3,3-tetrafluoropropyl)cyclobutane-1-carboxamide?
The InChIKey is JUZCMAKYKUOJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F4N2O2/c1-4-20-7-5-11(17,10(7,2)3)9(19)18-6-12(15,16)8(13)14/h7-8H,4-6,17H2,1-3H3,(H,18,19).
What are the key properties of 1-amino-3-ethoxy-2,2-dimethyl-N-(2,2,3,3-tetrafluoropropyl)cyclobutane-1-carboxamide?
1-amino-3-ethoxy-2,2-dimethyl-N-(2,2,3,3-tetrafluoropropyl)cyclobutane-1-carboxamide has a molecular weight of 300.30 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-ethoxy-2,2-dimethyl-N-(2,2,3,3-tetrafluoropropyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 106291837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).