2-methoxy-N-methyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine

C9H16F3NO2 — CID 104674931

IUPAC2-methoxy-N-methyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine
SMILESCNC1CC(OC(C)C(F)(F)F)C1OC
InChIInChI=1S/C9H16F3NO2/c1-5(9(10,11)12)15-7-4-6(13-2)8(7)14-3/h5-8,13H,4H2,1-3H3
InChIKeyYUIMJKCEMHJPMO-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.33
Rot. Bonds4

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

2-methoxy-N-methyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine (PubChem CID 104674931) has the molecular formula C9H16F3NO2 and a molecular weight of 227.23 g/mol. Its IUPAC name is 2-methoxy-N-methyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine.

Molecular Properties

Compound Name2-methoxy-N-methyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine
PubChem CID104674931
Molecular FormulaC9H16F3NO2
Molecular Weight227.23 g/mol
Exact Mass227.11
IUPAC Name2-methoxy-N-methyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine
SMILESCNC1CC(OC(C)C(F)(F)F)C1OC
InChIInChI=1S/C9H16F3NO2/c1-5(9(10,11)12)15-7-4-6(13-2)8(7)14-3/h5-8,13H,4H2,1-3H3
InChIKeyYUIMJKCEMHJPMO-UHFFFAOYSA-N
XLogP1.33
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine?
The IUPAC name of 2-methoxy-N-methyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine (CID 104674931) is 2-methoxy-N-methyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine.
What is the SMILES notation for 2-methoxy-N-methyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine?
The canonical SMILES for 2-methoxy-N-methyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine is CNC1CC(OC(C)C(F)(F)F)C1OC.
What is the InChIKey of 2-methoxy-N-methyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine?
The InChIKey is YUIMJKCEMHJPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2/c1-5(9(10,11)12)15-7-4-6(13-2)8(7)14-3/h5-8,13H,4H2,1-3H3.
What are the key properties of 2-methoxy-N-methyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine?
2-methoxy-N-methyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine has a molecular weight of 227.23 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine is sourced from PubChem (CID 104674931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).