3-ethoxy-2-ethyl-2-methyl-N-(2,2,3,3-tetrafluoropropyl)cyclobutan-1-amine

C12H21F4NO — CID 106289842

IUPAC3-ethoxy-2-ethyl-2-methyl-N-(2,2,3,3-tetrafluoropropyl)cyclobutan-1-amine
SMILESCCOC1CC(NCC(F)(F)C(F)F)C1(C)CC
InChIInChI=1S/C12H21F4NO/c1-4-11(3)8(6-9(11)18-5-2)17-7-12(15,16)10(13)14/h8-10,17H,4-7H2,1-3H3
InChIKeyCGZUXHUCEZDMBJ-UHFFFAOYSA-N
MW271.30 g/mol
LogP3.07
Rot. Bonds7

About 3-ethoxy-2-ethyl-2-methyl-N-(2,2,3,3-tetrafluoropropyl)cyclobutan-1-amine

3-ethoxy-2-ethyl-2-methyl-N-(2,2,3,3-tetrafluoropropyl)cyclobutan-1-amine (PubChem CID 106289842) has the molecular formula C12H21F4NO and a molecular weight of 271.30 g/mol. Its IUPAC name is 3-ethoxy-2-ethyl-2-methyl-N-(2,2,3,3-tetrafluoropropyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-2-ethyl-2-methyl-N-(2,2,3,3-tetrafluoropropyl)cyclobutan-1-amine
PubChem CID106289842
Molecular FormulaC12H21F4NO
Molecular Weight271.30 g/mol
Exact Mass271.16
IUPAC Name3-ethoxy-2-ethyl-2-methyl-N-(2,2,3,3-tetrafluoropropyl)cyclobutan-1-amine
SMILESCCOC1CC(NCC(F)(F)C(F)F)C1(C)CC
InChIInChI=1S/C12H21F4NO/c1-4-11(3)8(6-9(11)18-5-2)17-7-12(15,16)10(13)14/h8-10,17H,4-7H2,1-3H3
InChIKeyCGZUXHUCEZDMBJ-UHFFFAOYSA-N
XLogP3.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-2-ethyl-2-methyl-N-(2-methylpropyl)cyclobutan-1-amine
CID 65170309
1-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]pentan-3-ol
CID 113497546
3-ethoxy-N-(2-ethoxyethyl)-2-ethyl-2-methylcyclobutan-1-amine
CID 65167908
N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)hydroxylamine
CID 82685490
3-ethoxy-2-ethyl-2-methyl-N-(3-methylbut-2-enyl)cyclobutan-1-amine
CID 106180794
N-but-3-ynyl-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine
CID 65169189
3-ethoxy-2-ethyl-2-methyl-N-(3-methylbutan-2-yl)cyclobutan-1-amine
CID 65168094
3-ethoxy-2-ethyl-2-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclobutan-1-amine
CID 65169555
1-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine
CID 65168235
3-ethoxy-2-ethyl-2-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclobutan-1-amine
CID 80526184
2-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]propane-1,3-diol
CID 65315597
3-ethoxy-2-ethyl-2-methyl-N-(2-methylpentan-3-yl)cyclobutan-1-amine
CID 65168173

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-ethyl-2-methyl-N-(2,2,3,3-tetrafluoropropyl)cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-2-ethyl-2-methyl-N-(2,2,3,3-tetrafluoropropyl)cyclobutan-1-amine (CID 106289842) is 3-ethoxy-2-ethyl-2-methyl-N-(2,2,3,3-tetrafluoropropyl)cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-2-ethyl-2-methyl-N-(2,2,3,3-tetrafluoropropyl)cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-2-ethyl-2-methyl-N-(2,2,3,3-tetrafluoropropyl)cyclobutan-1-amine is CCOC1CC(NCC(F)(F)C(F)F)C1(C)CC.
What is the InChIKey of 3-ethoxy-2-ethyl-2-methyl-N-(2,2,3,3-tetrafluoropropyl)cyclobutan-1-amine?
The InChIKey is CGZUXHUCEZDMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F4NO/c1-4-11(3)8(6-9(11)18-5-2)17-7-12(15,16)10(13)14/h8-10,17H,4-7H2,1-3H3.
What are the key properties of 3-ethoxy-2-ethyl-2-methyl-N-(2,2,3,3-tetrafluoropropyl)cyclobutan-1-amine?
3-ethoxy-2-ethyl-2-methyl-N-(2,2,3,3-tetrafluoropropyl)cyclobutan-1-amine has a molecular weight of 271.30 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-ethyl-2-methyl-N-(2,2,3,3-tetrafluoropropyl)cyclobutan-1-amine is sourced from PubChem (CID 106289842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).