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

C8H12F3NO2 — CID 62389655

IUPACmethyl 1-(2,2,2-trifluoroethylamino)cyclobutane-1-carboxylate
SMILESCOC(=O)C1(NCC(F)(F)F)CCC1
InChIInChI=1S/C8H12F3NO2/c1-14-6(13)7(3-2-4-7)12-5-8(9,10)11/h12H,2-5H2,1H3
InChIKeyKWMREXXSZPNHNN-UHFFFAOYSA-N
MW211.18 g/mol
LogP1.23
Rot. Bonds3

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

methyl 1-(2,2,2-trifluoroethylamino)cyclobutane-1-carboxylate (PubChem CID 62389655) has the molecular formula C8H12F3NO2 and a molecular weight of 211.18 g/mol. Its IUPAC name is methyl 1-(2,2,2-trifluoroethylamino)cyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2,2,2-trifluoroethylamino)cyclobutane-1-carboxylate
PubChem CID62389655
Molecular FormulaC8H12F3NO2
Molecular Weight211.18 g/mol
Exact Mass211.08
IUPAC Namemethyl 1-(2,2,2-trifluoroethylamino)cyclobutane-1-carboxylate
SMILESCOC(=O)C1(NCC(F)(F)F)CCC1
InChIInChI=1S/C8H12F3NO2/c1-14-6(13)7(3-2-4-7)12-5-8(9,10)11/h12H,2-5H2,1H3
InChIKeyKWMREXXSZPNHNN-UHFFFAOYSA-N
XLogP1.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 1-(2,2,2-trifluoroethylamino)cyclobutane-1-carboxylate 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 methyl 1-(2,2,2-trifluoroethylamino)cyclobutane-1-carboxylate?
The IUPAC name of methyl 1-(2,2,2-trifluoroethylamino)cyclobutane-1-carboxylate (CID 62389655) is methyl 1-(2,2,2-trifluoroethylamino)cyclobutane-1-carboxylate.
What is the SMILES notation for methyl 1-(2,2,2-trifluoroethylamino)cyclobutane-1-carboxylate?
The canonical SMILES for methyl 1-(2,2,2-trifluoroethylamino)cyclobutane-1-carboxylate is COC(=O)C1(NCC(F)(F)F)CCC1.
What is the InChIKey of methyl 1-(2,2,2-trifluoroethylamino)cyclobutane-1-carboxylate?
The InChIKey is KWMREXXSZPNHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO2/c1-14-6(13)7(3-2-4-7)12-5-8(9,10)11/h12H,2-5H2,1H3.
What are the key properties of methyl 1-(2,2,2-trifluoroethylamino)cyclobutane-1-carboxylate?
methyl 1-(2,2,2-trifluoroethylamino)cyclobutane-1-carboxylate has a molecular weight of 211.18 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2,2,2-trifluoroethylamino)cyclobutane-1-carboxylate is sourced from PubChem (CID 62389655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).