2-[1-(1,1,1-trifluoropropan-2-yloxy)cyclobutyl]ethanamine

C9H16F3NO — CID 103274225

IUPAC2-[1-(1,1,1-trifluoropropan-2-yloxy)cyclobutyl]ethanamine
SMILESCC(OC1(CCN)CCC1)C(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-7(9(10,11)12)14-8(5-6-13)3-2-4-8/h7H,2-6,13H2,1H3
InChIKeyIQKRJRQPRZGSFY-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.23
Rot. Bonds4

About 2-[1-(1,1,1-trifluoropropan-2-yloxy)cyclobutyl]ethanamine

2-[1-(1,1,1-trifluoropropan-2-yloxy)cyclobutyl]ethanamine (PubChem CID 103274225) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 2-[1-(1,1,1-trifluoropropan-2-yloxy)cyclobutyl]ethanamine.

Molecular Properties

Compound Name2-[1-(1,1,1-trifluoropropan-2-yloxy)cyclobutyl]ethanamine
PubChem CID103274225
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name2-[1-(1,1,1-trifluoropropan-2-yloxy)cyclobutyl]ethanamine
SMILESCC(OC1(CCN)CCC1)C(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-7(9(10,11)12)14-8(5-6-13)3-2-4-8/h7H,2-6,13H2,1H3
InChIKeyIQKRJRQPRZGSFY-UHFFFAOYSA-N
XLogP2.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[1-(1,1,1-trifluoropropan-2-yloxy)cyclobutyl]ethanamine 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 2-[1-(1,1,1-trifluoropropan-2-yloxy)cyclobutyl]ethanamine?
The IUPAC name of 2-[1-(1,1,1-trifluoropropan-2-yloxy)cyclobutyl]ethanamine (CID 103274225) is 2-[1-(1,1,1-trifluoropropan-2-yloxy)cyclobutyl]ethanamine.
What is the SMILES notation for 2-[1-(1,1,1-trifluoropropan-2-yloxy)cyclobutyl]ethanamine?
The canonical SMILES for 2-[1-(1,1,1-trifluoropropan-2-yloxy)cyclobutyl]ethanamine is CC(OC1(CCN)CCC1)C(F)(F)F.
What is the InChIKey of 2-[1-(1,1,1-trifluoropropan-2-yloxy)cyclobutyl]ethanamine?
The InChIKey is IQKRJRQPRZGSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-7(9(10,11)12)14-8(5-6-13)3-2-4-8/h7H,2-6,13H2,1H3.
What are the key properties of 2-[1-(1,1,1-trifluoropropan-2-yloxy)cyclobutyl]ethanamine?
2-[1-(1,1,1-trifluoropropan-2-yloxy)cyclobutyl]ethanamine has a molecular weight of 211.23 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,1,1-trifluoropropan-2-yloxy)cyclobutyl]ethanamine is sourced from PubChem (CID 103274225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).