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

C15H27F3N2O — CID 114947733

IUPAC8,8-dimethyl-7-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCCCN(CC(F)(F)F)CC1(N)C2CCCOC2C1(C)C
InChIInChI=1S/C15H27F3N2O/c1-4-7-20(10-15(16,17)18)9-14(19)11-6-5-8-21-12(11)13(14,2)3/h11-12H,4-10,19H2,1-3H3
InChIKeyQELCAQKWZPAKHO-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.79
Rot. Bonds5

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

8,8-dimethyl-7-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-2-oxabicyclo[4.2.0]octan-7-amine (PubChem CID 114947733) has the molecular formula C15H27F3N2O and a molecular weight of 308.39 g/mol. Its IUPAC name is 8,8-dimethyl-7-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-2-oxabicyclo[4.2.0]octan-7-amine.

Molecular Properties

Compound Name8,8-dimethyl-7-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-2-oxabicyclo[4.2.0]octan-7-amine
PubChem CID114947733
Molecular FormulaC15H27F3N2O
Molecular Weight308.39 g/mol
Exact Mass308.21
IUPAC Name8,8-dimethyl-7-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCCCN(CC(F)(F)F)CC1(N)C2CCCOC2C1(C)C
InChIInChI=1S/C15H27F3N2O/c1-4-7-20(10-15(16,17)18)9-14(19)11-6-5-8-21-12(11)13(14,2)3/h11-12H,4-10,19H2,1-3H3
InChIKeyQELCAQKWZPAKHO-UHFFFAOYSA-N
XLogP2.79
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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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-[[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
7,7-Dimethyl-6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 114948115

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-7-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-2-oxabicyclo[4.2.0]octan-7-amine?
The IUPAC name of 8,8-dimethyl-7-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-2-oxabicyclo[4.2.0]octan-7-amine (CID 114947733) is 8,8-dimethyl-7-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-2-oxabicyclo[4.2.0]octan-7-amine.
What is the SMILES notation for 8,8-dimethyl-7-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-2-oxabicyclo[4.2.0]octan-7-amine?
The canonical SMILES for 8,8-dimethyl-7-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-2-oxabicyclo[4.2.0]octan-7-amine is CCCN(CC(F)(F)F)CC1(N)C2CCCOC2C1(C)C.
What is the InChIKey of 8,8-dimethyl-7-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-2-oxabicyclo[4.2.0]octan-7-amine?
The InChIKey is QELCAQKWZPAKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2O/c1-4-7-20(10-15(16,17)18)9-14(19)11-6-5-8-21-12(11)13(14,2)3/h11-12H,4-10,19H2,1-3H3.
What are the key properties of 8,8-dimethyl-7-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-2-oxabicyclo[4.2.0]octan-7-amine?
8,8-dimethyl-7-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-2-oxabicyclo[4.2.0]octan-7-amine has a molecular weight of 308.39 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-7-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-2-oxabicyclo[4.2.0]octan-7-amine is sourced from PubChem (CID 114947733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).