3-methoxy-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine

C7H12F3NO — CID 103275775

IUPAC3-methoxy-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine
SMILESCOC1CC(NCC(F)(F)F)C1
InChIInChI=1S/C7H12F3NO/c1-12-6-2-5(3-6)11-4-7(8,9)10/h5-6,11H,2-4H2,1H3
InChIKeyPFCBMOYWPSVLSL-UHFFFAOYSA-N
MW183.17 g/mol
LogP1.32
Rot. Bonds3

About 3-methoxy-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine

3-methoxy-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine (PubChem CID 103275775) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is 3-methoxy-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine
PubChem CID103275775
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name3-methoxy-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine
SMILESCOC1CC(NCC(F)(F)F)C1
InChIInChI=1S/C7H12F3NO/c1-12-6-2-5(3-6)11-4-7(8,9)10/h5-6,11H,2-4H2,1H3
InChIKeyPFCBMOYWPSVLSL-UHFFFAOYSA-N
XLogP1.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methoxy-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine 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 3-methoxy-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine?
The IUPAC name of 3-methoxy-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine (CID 103275775) is 3-methoxy-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine.
What is the SMILES notation for 3-methoxy-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine?
The canonical SMILES for 3-methoxy-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine is COC1CC(NCC(F)(F)F)C1.
What is the InChIKey of 3-methoxy-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine?
The InChIKey is PFCBMOYWPSVLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO/c1-12-6-2-5(3-6)11-4-7(8,9)10/h5-6,11H,2-4H2,1H3.
What are the key properties of 3-methoxy-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine?
3-methoxy-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine has a molecular weight of 183.17 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine is sourced from PubChem (CID 103275775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).