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

C12H20F4N2O — CID 106293673

IUPAC7,7-dimethyl-6-[(2,2,3,3-tetrafluoropropylamino)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCC1(C)C2OCCC2C1(N)CNCC(F)(F)C(F)F
InChIInChI=1S/C12H20F4N2O/c1-10(2)8-7(3-4-19-8)11(10,17)5-18-6-12(15,16)9(13)14/h7-9,18H,3-6,17H2,1-2H3
InChIKeyYTFLBHFXZUCMKW-UHFFFAOYSA-N
MW284.30 g/mol
LogP1.62
Rot. Bonds5

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

7,7-dimethyl-6-[(2,2,3,3-tetrafluoropropylamino)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine (PubChem CID 106293673) has the molecular formula C12H20F4N2O and a molecular weight of 284.30 g/mol. Its IUPAC name is 7,7-dimethyl-6-[(2,2,3,3-tetrafluoropropylamino)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine.

Molecular Properties

Compound Name7,7-dimethyl-6-[(2,2,3,3-tetrafluoropropylamino)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
PubChem CID106293673
Molecular FormulaC12H20F4N2O
Molecular Weight284.30 g/mol
Exact Mass284.15
IUPAC Name7,7-dimethyl-6-[(2,2,3,3-tetrafluoropropylamino)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCC1(C)C2OCCC2C1(N)CNCC(F)(F)C(F)F
InChIInChI=1S/C12H20F4N2O/c1-10(2)8-7(3-4-19-8)11(10,17)5-18-6-12(15,16)9(13)14/h7-9,18H,3-6,17H2,1-2H3
InChIKeyYTFLBHFXZUCMKW-UHFFFAOYSA-N
XLogP1.62
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.30
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

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Related Compounds

7,7-Dimethyl-6-[(4,4,4-trifluorobutan-2-ylamino)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 105946052
7,7-Dimethyl-6-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 106219226
6-[[2,2-Difluoroethyl(methyl)amino]methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 113654471
7,7-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-2-oxabicyclo[3.2.0]heptan-6-amine
CID 113826604
7,7-Dimethyl-6-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 114947346
7,7-Dimethyl-6-[(2,2,2-trifluoroethylamino)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 114947442
6-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 114947718
6-[[Cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 114947731
7,7-Dimethyl-6-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 114947734
7,7-Dimethyl-6-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 114947738
7,7-Dimethyl-6-[(3,3,3-trifluoropropylamino)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 114947957
7,7-Dimethyl-6-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 114948112

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-6-[(2,2,3,3-tetrafluoropropylamino)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine?
The IUPAC name of 7,7-dimethyl-6-[(2,2,3,3-tetrafluoropropylamino)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine (CID 106293673) is 7,7-dimethyl-6-[(2,2,3,3-tetrafluoropropylamino)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine.
What is the SMILES notation for 7,7-dimethyl-6-[(2,2,3,3-tetrafluoropropylamino)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine?
The canonical SMILES for 7,7-dimethyl-6-[(2,2,3,3-tetrafluoropropylamino)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine is CC1(C)C2OCCC2C1(N)CNCC(F)(F)C(F)F.
What is the InChIKey of 7,7-dimethyl-6-[(2,2,3,3-tetrafluoropropylamino)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine?
The InChIKey is YTFLBHFXZUCMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F4N2O/c1-10(2)8-7(3-4-19-8)11(10,17)5-18-6-12(15,16)9(13)14/h7-9,18H,3-6,17H2,1-2H3.
What are the key properties of 7,7-dimethyl-6-[(2,2,3,3-tetrafluoropropylamino)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine?
7,7-dimethyl-6-[(2,2,3,3-tetrafluoropropylamino)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine has a molecular weight of 284.30 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-6-[(2,2,3,3-tetrafluoropropylamino)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine is sourced from PubChem (CID 106293673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).