7,7-dimethyl-6-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine

C13H23F3N2O — CID 114948112

IUPAC7,7-dimethyl-6-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCN(CCC(F)(F)F)CC1(N)C2CCOC2C1(C)C
InChIInChI=1S/C13H23F3N2O/c1-11(2)10-9(4-7-19-10)12(11,17)8-18(3)6-5-13(14,15)16/h9-10H,4-8,17H2,1-3H3
InChIKeyVLEABRYNQSVVJO-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.01
Rot. Bonds4

About 7,7-dimethyl-6-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine

7,7-dimethyl-6-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine (PubChem CID 114948112) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is 7,7-dimethyl-6-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine.

Molecular Properties

Compound Name7,7-dimethyl-6-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
PubChem CID114948112
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC Name7,7-dimethyl-6-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCN(CCC(F)(F)F)CC1(N)C2CCOC2C1(C)C
InChIInChI=1S/C13H23F3N2O/c1-11(2)10-9(4-7-19-10)12(11,17)8-18(3)6-5-13(14,15)16/h9-10H,4-8,17H2,1-3H3
InChIKeyVLEABRYNQSVVJO-UHFFFAOYSA-N
XLogP2.01
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7,7-dimethyl-6-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-6-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine?
The IUPAC name of 7,7-dimethyl-6-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine (CID 114948112) is 7,7-dimethyl-6-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine.
What is the SMILES notation for 7,7-dimethyl-6-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine?
The canonical SMILES for 7,7-dimethyl-6-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine is CN(CCC(F)(F)F)CC1(N)C2CCOC2C1(C)C.
What is the InChIKey of 7,7-dimethyl-6-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine?
The InChIKey is VLEABRYNQSVVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c1-11(2)10-9(4-7-19-10)12(11,17)8-18(3)6-5-13(14,15)16/h9-10H,4-8,17H2,1-3H3.
What are the key properties of 7,7-dimethyl-6-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine?
7,7-dimethyl-6-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine has a molecular weight of 280.33 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-6-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine is sourced from PubChem (CID 114948112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).