3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine

C7H12F3NO — CID 66350531

IUPAC3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine
SMILESCC(OC1CC(N)C1)C(F)(F)F
InChIInChI=1S/C7H12F3NO/c1-4(7(8,9)10)12-6-2-5(11)3-6/h4-6H,2-3,11H2,1H3
InChIKeyOMBNRDXMRNCEHW-UHFFFAOYSA-N
MW183.17 g/mol
LogP1.44
Rot. Bonds2

About 3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine

3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine (PubChem CID 66350531) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is 3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine
PubChem CID66350531
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine
SMILESCC(OC1CC(N)C1)C(F)(F)F
InChIInChI=1S/C7H12F3NO/c1-4(7(8,9)10)12-6-2-5(11)3-6/h4-6H,2-3,11H2,1H3
InChIKeyOMBNRDXMRNCEHW-UHFFFAOYSA-N
XLogP1.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine?
The IUPAC name of 3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine (CID 66350531) is 3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine.
What is the SMILES notation for 3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine?
The canonical SMILES for 3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine is CC(OC1CC(N)C1)C(F)(F)F.
What is the InChIKey of 3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine?
The InChIKey is OMBNRDXMRNCEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO/c1-4(7(8,9)10)12-6-2-5(11)3-6/h4-6H,2-3,11H2,1H3.
What are the key properties of 3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine?
3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine has a molecular weight of 183.17 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine is sourced from PubChem (CID 66350531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).