3-methoxy-N-(3,3,3-trifluoropropyl)cyclobutan-1-amine

C8H14F3NO — CID 104871835

IUPAC3-methoxy-N-(3,3,3-trifluoropropyl)cyclobutan-1-amine
SMILESCOC1CC(NCCC(F)(F)F)C1
InChIInChI=1S/C8H14F3NO/c1-13-7-4-6(5-7)12-3-2-8(9,10)11/h6-7,12H,2-5H2,1H3
InChIKeyLNNZDWFZEGQAOU-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.71
Rot. Bonds4

About 3-methoxy-N-(3,3,3-trifluoropropyl)cyclobutan-1-amine

3-methoxy-N-(3,3,3-trifluoropropyl)cyclobutan-1-amine (PubChem CID 104871835) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 3-methoxy-N-(3,3,3-trifluoropropyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-(3,3,3-trifluoropropyl)cyclobutan-1-amine
PubChem CID104871835
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name3-methoxy-N-(3,3,3-trifluoropropyl)cyclobutan-1-amine
SMILESCOC1CC(NCCC(F)(F)F)C1
InChIInChI=1S/C8H14F3NO/c1-13-7-4-6(5-7)12-3-2-8(9,10)11/h6-7,12H,2-5H2,1H3
InChIKeyLNNZDWFZEGQAOU-UHFFFAOYSA-N
XLogP1.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methoxy-N-(3,3,3-trifluoropropyl)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-(3,3,3-trifluoropropyl)cyclobutan-1-amine?
The IUPAC name of 3-methoxy-N-(3,3,3-trifluoropropyl)cyclobutan-1-amine (CID 104871835) is 3-methoxy-N-(3,3,3-trifluoropropyl)cyclobutan-1-amine.
What is the SMILES notation for 3-methoxy-N-(3,3,3-trifluoropropyl)cyclobutan-1-amine?
The canonical SMILES for 3-methoxy-N-(3,3,3-trifluoropropyl)cyclobutan-1-amine is COC1CC(NCCC(F)(F)F)C1.
What is the InChIKey of 3-methoxy-N-(3,3,3-trifluoropropyl)cyclobutan-1-amine?
The InChIKey is LNNZDWFZEGQAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-13-7-4-6(5-7)12-3-2-8(9,10)11/h6-7,12H,2-5H2,1H3.
What are the key properties of 3-methoxy-N-(3,3,3-trifluoropropyl)cyclobutan-1-amine?
3-methoxy-N-(3,3,3-trifluoropropyl)cyclobutan-1-amine has a molecular weight of 197.20 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(3,3,3-trifluoropropyl)cyclobutan-1-amine is sourced from PubChem (CID 104871835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).