ethyl 1-(2,2,2-trifluoroethylamino)cyclobutane-1-carboxylate

C9H14F3NO2 — CID 62389816

IUPACethyl 1-(2,2,2-trifluoroethylamino)cyclobutane-1-carboxylate
SMILESCCOC(=O)C1(NCC(F)(F)F)CCC1
InChIInChI=1S/C9H14F3NO2/c1-2-15-7(14)8(4-3-5-8)13-6-9(10,11)12/h13H,2-6H2,1H3
InChIKeyXOYAWHTVVDNQDX-UHFFFAOYSA-N
MW225.21 g/mol
LogP1.62
Rot. Bonds4

About ethyl 1-(2,2,2-trifluoroethylamino)cyclobutane-1-carboxylate

ethyl 1-(2,2,2-trifluoroethylamino)cyclobutane-1-carboxylate (PubChem CID 62389816) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is ethyl 1-(2,2,2-trifluoroethylamino)cyclobutane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2,2,2-trifluoroethylamino)cyclobutane-1-carboxylate
PubChem CID62389816
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC Nameethyl 1-(2,2,2-trifluoroethylamino)cyclobutane-1-carboxylate
SMILESCCOC(=O)C1(NCC(F)(F)F)CCC1
InChIInChI=1S/C9H14F3NO2/c1-2-15-7(14)8(4-3-5-8)13-6-9(10,11)12/h13H,2-6H2,1H3
InChIKeyXOYAWHTVVDNQDX-UHFFFAOYSA-N
XLogP1.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2,2,2-trifluoroethylamino)cyclobutane-1-carboxylate?
The IUPAC name of ethyl 1-(2,2,2-trifluoroethylamino)cyclobutane-1-carboxylate (CID 62389816) is ethyl 1-(2,2,2-trifluoroethylamino)cyclobutane-1-carboxylate.
What is the SMILES notation for ethyl 1-(2,2,2-trifluoroethylamino)cyclobutane-1-carboxylate?
The canonical SMILES for ethyl 1-(2,2,2-trifluoroethylamino)cyclobutane-1-carboxylate is CCOC(=O)C1(NCC(F)(F)F)CCC1.
What is the InChIKey of ethyl 1-(2,2,2-trifluoroethylamino)cyclobutane-1-carboxylate?
The InChIKey is XOYAWHTVVDNQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2/c1-2-15-7(14)8(4-3-5-8)13-6-9(10,11)12/h13H,2-6H2,1H3.
What are the key properties of ethyl 1-(2,2,2-trifluoroethylamino)cyclobutane-1-carboxylate?
ethyl 1-(2,2,2-trifluoroethylamino)cyclobutane-1-carboxylate has a molecular weight of 225.21 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2,2,2-trifluoroethylamino)cyclobutane-1-carboxylate is sourced from PubChem (CID 62389816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).