3-ethoxy-1-(2,2,2-trifluoroethylamino)cyclobutane-1-carbonitrile

C9H13F3N2O — CID 106822496

IUPAC3-ethoxy-1-(2,2,2-trifluoroethylamino)cyclobutane-1-carbonitrile
SMILESCCOC1CC(C#N)(NCC(F)(F)F)C1
InChIInChI=1S/C9H13F3N2O/c1-2-15-7-3-8(4-7,5-13)14-6-9(10,11)12/h7,14H,2-4,6H2,1H3
InChIKeyCZAWGVYGIQCEBQ-UHFFFAOYSA-N
MW222.21 g/mol
LogP1.60
Rot. Bonds4

About 3-ethoxy-1-(2,2,2-trifluoroethylamino)cyclobutane-1-carbonitrile

3-ethoxy-1-(2,2,2-trifluoroethylamino)cyclobutane-1-carbonitrile (PubChem CID 106822496) has the molecular formula C9H13F3N2O and a molecular weight of 222.21 g/mol. Its IUPAC name is 3-ethoxy-1-(2,2,2-trifluoroethylamino)cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name3-ethoxy-1-(2,2,2-trifluoroethylamino)cyclobutane-1-carbonitrile
PubChem CID106822496
Molecular FormulaC9H13F3N2O
Molecular Weight222.21 g/mol
Exact Mass222.10
IUPAC Name3-ethoxy-1-(2,2,2-trifluoroethylamino)cyclobutane-1-carbonitrile
SMILESCCOC1CC(C#N)(NCC(F)(F)F)C1
InChIInChI=1S/C9H13F3N2O/c1-2-15-7-3-8(4-7,5-13)14-6-9(10,11)12/h7,14H,2-4,6H2,1H3
InChIKeyCZAWGVYGIQCEBQ-UHFFFAOYSA-N
XLogP1.60
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethoxy-1-(2-methylpropylamino)cyclobutane-1-carbonitrile
CID 106822413
3-ethoxy-1-(3-hydroxypropylamino)cyclobutane-1-carbonitrile
CID 106822514
3-ethoxy-1-(propan-2-ylamino)cyclobutane-1-carbonitrile
CID 106822385
3,3,5,5-tetramethyl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carbonitrile
CID 112682414
1-(3-azidopropylamino)-3-ethoxycyclobutane-1-carbonitrile
CID 106822518
3-ethoxy-1-(4-fluoroanilino)cyclobutane-1-carbonitrile
CID 106822392
1,5-dimethyl-3-(2,2,2-trifluoroethylamino)pyrrolidine-3-carbonitrile
CID 81467805
3-(2,2,2-trifluoroethylamino)azetidine-3-carbonitrile
CID 79307647
1-bromo-3-ethoxycyclobutane-1-carbonitrile
CID 106824047
1-(propylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carbonitrile
CID 79639106
1-(ethylamino)-3-methoxycyclobutane-1-carbonitrile
CID 106822380
4-(2,2,2-trifluoroethylamino)thiane-4-carbonitrile
CID 61320252

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-(2,2,2-trifluoroethylamino)cyclobutane-1-carbonitrile?
The IUPAC name of 3-ethoxy-1-(2,2,2-trifluoroethylamino)cyclobutane-1-carbonitrile (CID 106822496) is 3-ethoxy-1-(2,2,2-trifluoroethylamino)cyclobutane-1-carbonitrile.
What is the SMILES notation for 3-ethoxy-1-(2,2,2-trifluoroethylamino)cyclobutane-1-carbonitrile?
The canonical SMILES for 3-ethoxy-1-(2,2,2-trifluoroethylamino)cyclobutane-1-carbonitrile is CCOC1CC(C#N)(NCC(F)(F)F)C1.
What is the InChIKey of 3-ethoxy-1-(2,2,2-trifluoroethylamino)cyclobutane-1-carbonitrile?
The InChIKey is CZAWGVYGIQCEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O/c1-2-15-7-3-8(4-7,5-13)14-6-9(10,11)12/h7,14H,2-4,6H2,1H3.
What are the key properties of 3-ethoxy-1-(2,2,2-trifluoroethylamino)cyclobutane-1-carbonitrile?
3-ethoxy-1-(2,2,2-trifluoroethylamino)cyclobutane-1-carbonitrile has a molecular weight of 222.21 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-(2,2,2-trifluoroethylamino)cyclobutane-1-carbonitrile is sourced from PubChem (CID 106822496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).