7-[[2,2-difluoroethyl(methyl)amino]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine

C13H24F2N2O — CID 114948361

IUPAC7-[[2,2-difluoroethyl(methyl)amino]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCN(CC(F)F)CC1(N)C2CCCOC2C1(C)C
InChIInChI=1S/C13H24F2N2O/c1-12(2)11-9(5-4-6-18-11)13(12,16)8-17(3)7-10(14)15/h9-11H,4-8,16H2,1-3H3
InChIKeyKVMFROOOPJFOKK-UHFFFAOYSA-N
MW262.34 g/mol
LogP1.72
Rot. Bonds4

About 7-[[2,2-difluoroethyl(methyl)amino]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine

7-[[2,2-difluoroethyl(methyl)amino]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine (PubChem CID 114948361) has the molecular formula C13H24F2N2O and a molecular weight of 262.34 g/mol. Its IUPAC name is 7-[[2,2-difluoroethyl(methyl)amino]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine.

Molecular Properties

Compound Name7-[[2,2-difluoroethyl(methyl)amino]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
PubChem CID114948361
Molecular FormulaC13H24F2N2O
Molecular Weight262.34 g/mol
Exact Mass262.19
IUPAC Name7-[[2,2-difluoroethyl(methyl)amino]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCN(CC(F)F)CC1(N)C2CCCOC2C1(C)C
InChIInChI=1S/C13H24F2N2O/c1-12(2)11-9(5-4-6-18-11)13(12,16)8-17(3)7-10(14)15/h9-11H,4-8,16H2,1-3H3
InChIKeyKVMFROOOPJFOKK-UHFFFAOYSA-N
XLogP1.72
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-[[2,2-difluoroethyl(methyl)amino]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8,8-Dimethyl-7-[(4,4,4-trifluorobutan-2-ylamino)methyl]-2-oxabicyclo[4.2.0]octan-7-amine
CID 105946209
8,8-Dimethyl-7-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]-2-oxabicyclo[4.2.0]octan-7-amine
CID 106219148
8,8-Dimethyl-7-[(2,2,3,3-tetrafluoropropylamino)methyl]-2-oxabicyclo[4.2.0]octan-7-amine
CID 106294005
8,8-Dimethyl-7-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-2-oxabicyclo[4.2.0]octan-7-amine
CID 114947344
8,8-Dimethyl-7-[(2,2,2-trifluoroethylamino)methyl]-2-oxabicyclo[4.2.0]octan-7-amine
CID 114947441
7-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 114947717
7-[[Cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 114947730
8,8-Dimethyl-7-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-2-oxabicyclo[4.2.0]octan-7-amine
CID 114947733
8,8-Dimethyl-7-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-2-oxabicyclo[4.2.0]octan-7-amine
CID 114947735
8,8-Dimethyl-7-[(3,3,3-trifluoropropylamino)methyl]-2-oxabicyclo[4.2.0]octan-7-amine
CID 114947956
8,8-Dimethyl-7-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-2-oxabicyclo[4.2.0]octan-7-amine
CID 114948111
7,7-Dimethyl-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 114948113

Frequently Asked Questions

What is the IUPAC name of 7-[[2,2-difluoroethyl(methyl)amino]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
The IUPAC name of 7-[[2,2-difluoroethyl(methyl)amino]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine (CID 114948361) is 7-[[2,2-difluoroethyl(methyl)amino]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine.
What is the SMILES notation for 7-[[2,2-difluoroethyl(methyl)amino]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
The canonical SMILES for 7-[[2,2-difluoroethyl(methyl)amino]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine is CN(CC(F)F)CC1(N)C2CCCOC2C1(C)C.
What is the InChIKey of 7-[[2,2-difluoroethyl(methyl)amino]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
The InChIKey is KVMFROOOPJFOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F2N2O/c1-12(2)11-9(5-4-6-18-11)13(12,16)8-17(3)7-10(14)15/h9-11H,4-8,16H2,1-3H3.
What are the key properties of 7-[[2,2-difluoroethyl(methyl)amino]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
7-[[2,2-difluoroethyl(methyl)amino]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine has a molecular weight of 262.34 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2,2-difluoroethyl(methyl)amino]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine is sourced from PubChem (CID 114948361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).