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

C12H21F3N2O — CID 114947346

IUPAC7,7-dimethyl-6-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCN(CC(F)(F)F)CC1(N)C2CCOC2C1(C)C
InChIInChI=1S/C12H21F3N2O/c1-10(2)9-8(4-5-18-9)11(10,16)6-17(3)7-12(13,14)15/h8-9H,4-7,16H2,1-3H3
InChIKeySGMDDSMRZDPPOB-UHFFFAOYSA-N
MW266.31 g/mol
LogP1.62
Rot. Bonds3

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

7,7-dimethyl-6-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine (PubChem CID 114947346) has the molecular formula C12H21F3N2O and a molecular weight of 266.31 g/mol. Its IUPAC name is 7,7-dimethyl-6-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine.

Molecular Properties

Compound Name7,7-dimethyl-6-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
PubChem CID114947346
Molecular FormulaC12H21F3N2O
Molecular Weight266.31 g/mol
Exact Mass266.16
IUPAC Name7,7-dimethyl-6-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCN(CC(F)(F)F)CC1(N)C2CCOC2C1(C)C
InChIInChI=1S/C12H21F3N2O/c1-10(2)9-8(4-5-18-9)11(10,16)6-17(3)7-12(13,14)15/h8-9H,4-7,16H2,1-3H3
InChIKeySGMDDSMRZDPPOB-UHFFFAOYSA-N
XLogP1.62
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-6-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine?
The IUPAC name of 7,7-dimethyl-6-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine (CID 114947346) is 7,7-dimethyl-6-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine.
What is the SMILES notation for 7,7-dimethyl-6-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine?
The canonical SMILES for 7,7-dimethyl-6-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine is CN(CC(F)(F)F)CC1(N)C2CCOC2C1(C)C.
What is the InChIKey of 7,7-dimethyl-6-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine?
The InChIKey is SGMDDSMRZDPPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O/c1-10(2)9-8(4-5-18-9)11(10,16)6-17(3)7-12(13,14)15/h8-9H,4-7,16H2,1-3H3.
What are the key properties of 7,7-dimethyl-6-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine?
7,7-dimethyl-6-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine has a molecular weight of 266.31 g/mol, XLogP of 1.62, 3 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(2,2,2-trifluoroethyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine is sourced from PubChem (CID 114947346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).