8,8-dimethyl-7-[(2,2,3,3-tetrafluoropropylamino)methyl]-2-oxabicyclo[4.2.0]octan-7-amine

C13H22F4N2O — CID 106294005

IUPAC8,8-dimethyl-7-[(2,2,3,3-tetrafluoropropylamino)methyl]-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCC1(C)C2OCCCC2C1(N)CNCC(F)(F)C(F)F
InChIInChI=1S/C13H22F4N2O/c1-11(2)9-8(4-3-5-20-9)12(11,18)6-19-7-13(16,17)10(14)15/h8-10,19H,3-7,18H2,1-2H3
InChIKeyFSTCGSSUQGKQLE-UHFFFAOYSA-N
MW298.32 g/mol
LogP2.01
Rot. Bonds5

About 8,8-dimethyl-7-[(2,2,3,3-tetrafluoropropylamino)methyl]-2-oxabicyclo[4.2.0]octan-7-amine

8,8-dimethyl-7-[(2,2,3,3-tetrafluoropropylamino)methyl]-2-oxabicyclo[4.2.0]octan-7-amine (PubChem CID 106294005) has the molecular formula C13H22F4N2O and a molecular weight of 298.32 g/mol. Its IUPAC name is 8,8-dimethyl-7-[(2,2,3,3-tetrafluoropropylamino)methyl]-2-oxabicyclo[4.2.0]octan-7-amine.

Molecular Properties

Compound Name8,8-dimethyl-7-[(2,2,3,3-tetrafluoropropylamino)methyl]-2-oxabicyclo[4.2.0]octan-7-amine
PubChem CID106294005
Molecular FormulaC13H22F4N2O
Molecular Weight298.32 g/mol
Exact Mass298.17
IUPAC Name8,8-dimethyl-7-[(2,2,3,3-tetrafluoropropylamino)methyl]-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCC1(C)C2OCCCC2C1(N)CNCC(F)(F)C(F)F
InChIInChI=1S/C13H22F4N2O/c1-11(2)9-8(4-3-5-20-9)12(11,18)6-19-7-13(16,17)10(14)15/h8-10,19H,3-7,18H2,1-2H3
InChIKeyFSTCGSSUQGKQLE-UHFFFAOYSA-N
XLogP2.01
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 8,8-dimethyl-7-[(2,2,3,3-tetrafluoropropylamino)methyl]-2-oxabicyclo[4.2.0]octan-7-amine with MolForge

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Related Compounds

8,8-dimethyl-7-[(5,5,5-trifluoropentylamino)methyl]-2-oxabicyclo[4.2.0]octan-7-amine
CID 114948245
7-(butylaminomethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 114947429
6-[(2,2-dicyclopropylethylamino)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 114948121
8,8-dimethyl-7-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-2-oxabicyclo[4.2.0]octan-7-amine
CID 114947733
7-amino-N-(2,2-difluoroethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114946451
7,7-dimethyl-6-[[(2-methyloxolan-2-yl)methylamino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 114948187
7-[[ethyl(propan-2-yl)amino]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 114947232
7-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 104985317
2-N-[(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103189448
8,8-dimethyl-7-(1,4-oxazepan-4-ylmethyl)-2-oxabicyclo[4.2.0]octan-7-amine
CID 114947899
7-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 114947719
8,8-dimethyl-7-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]-2-oxabicyclo[4.2.0]octan-7-amine
CID 114948308

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-7-[(2,2,3,3-tetrafluoropropylamino)methyl]-2-oxabicyclo[4.2.0]octan-7-amine?
The IUPAC name of 8,8-dimethyl-7-[(2,2,3,3-tetrafluoropropylamino)methyl]-2-oxabicyclo[4.2.0]octan-7-amine (CID 106294005) is 8,8-dimethyl-7-[(2,2,3,3-tetrafluoropropylamino)methyl]-2-oxabicyclo[4.2.0]octan-7-amine.
What is the SMILES notation for 8,8-dimethyl-7-[(2,2,3,3-tetrafluoropropylamino)methyl]-2-oxabicyclo[4.2.0]octan-7-amine?
The canonical SMILES for 8,8-dimethyl-7-[(2,2,3,3-tetrafluoropropylamino)methyl]-2-oxabicyclo[4.2.0]octan-7-amine is CC1(C)C2OCCCC2C1(N)CNCC(F)(F)C(F)F.
What is the InChIKey of 8,8-dimethyl-7-[(2,2,3,3-tetrafluoropropylamino)methyl]-2-oxabicyclo[4.2.0]octan-7-amine?
The InChIKey is FSTCGSSUQGKQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F4N2O/c1-11(2)9-8(4-3-5-20-9)12(11,18)6-19-7-13(16,17)10(14)15/h8-10,19H,3-7,18H2,1-2H3.
What are the key properties of 8,8-dimethyl-7-[(2,2,3,3-tetrafluoropropylamino)methyl]-2-oxabicyclo[4.2.0]octan-7-amine?
8,8-dimethyl-7-[(2,2,3,3-tetrafluoropropylamino)methyl]-2-oxabicyclo[4.2.0]octan-7-amine has a molecular weight of 298.32 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-7-[(2,2,3,3-tetrafluoropropylamino)methyl]-2-oxabicyclo[4.2.0]octan-7-amine is sourced from PubChem (CID 106294005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).