8,8-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-2-oxabicyclo[4.2.0]octan-7-amine

C12H19F4NO — CID 114168995

IUPAC8,8-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCC1(C)C(NCC(F)(F)C(F)F)C2CCCOC21
InChIInChI=1S/C12H19F4NO/c1-11(2)8(7-4-3-5-18-9(7)11)17-6-12(15,16)10(13)14/h7-10,17H,3-6H2,1-2H3
InChIKeyIXKWYVSELKRYEI-UHFFFAOYSA-N
MW269.28 g/mol
LogP2.68
Rot. Bonds4

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

8,8-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-2-oxabicyclo[4.2.0]octan-7-amine (PubChem CID 114168995) has the molecular formula C12H19F4NO and a molecular weight of 269.28 g/mol. Its IUPAC name is 8,8-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-2-oxabicyclo[4.2.0]octan-7-amine.

Molecular Properties

Compound Name8,8-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-2-oxabicyclo[4.2.0]octan-7-amine
PubChem CID114168995
Molecular FormulaC12H19F4NO
Molecular Weight269.28 g/mol
Exact Mass269.14
IUPAC Name8,8-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCC1(C)C(NCC(F)(F)C(F)F)C2CCCOC21
InChIInChI=1S/C12H19F4NO/c1-11(2)8(7-4-3-5-18-9(7)11)17-6-12(15,16)10(13)14/h7-10,17H,3-6H2,1-2H3
InChIKeyIXKWYVSELKRYEI-UHFFFAOYSA-N
XLogP2.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

8,8-dimethyl-N-(3,3,3-trifluoropropyl)-2-oxabicyclo[4.2.0]octan-7-amine
CID 64862669
8,8-dimethyl-N-[4-(trifluoromethyl)cyclohexyl]-2-oxabicyclo[4.2.0]octan-7-amine
CID 64862848
8,8-dimethyl-N-[2-(trifluoromethyl)cyclohexyl]-2-oxabicyclo[4.2.0]octan-7-amine
CID 64862849
8,8-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-2-oxabicyclo[4.2.0]octan-7-amine
CID 64863068
8,8-dimethyl-N-(2,2,2-trifluoroethyl)-2-oxabicyclo[4.2.0]octan-7-amine
CID 64863978
8,8-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]-2-oxabicyclo[4.2.0]octan-7-amine
CID 64865375
3-ethoxy-N-(3,3,3-trifluoropropyl)spiro[3.5]nonan-1-amine
CID 65169610
3-ethoxy-N-(2,2,2-trifluoroethyl)spiro[3.5]nonan-1-amine
CID 65170650
N-propyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.5]nonan-1-amine
CID 66350084
N-ethyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.5]nonan-1-amine
CID 66350745
N-ethyl-3-(2,2,2-trifluoroethoxy)spiro[3.5]nonan-1-amine
CID 66356963
N-propyl-3-(2,2,2-trifluoroethoxy)spiro[3.5]nonan-1-amine
CID 66359802

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-2-oxabicyclo[4.2.0]octan-7-amine?
The IUPAC name of 8,8-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-2-oxabicyclo[4.2.0]octan-7-amine (CID 114168995) is 8,8-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-2-oxabicyclo[4.2.0]octan-7-amine.
What is the SMILES notation for 8,8-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-2-oxabicyclo[4.2.0]octan-7-amine?
The canonical SMILES for 8,8-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-2-oxabicyclo[4.2.0]octan-7-amine is CC1(C)C(NCC(F)(F)C(F)F)C2CCCOC21.
What is the InChIKey of 8,8-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-2-oxabicyclo[4.2.0]octan-7-amine?
The InChIKey is IXKWYVSELKRYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F4NO/c1-11(2)8(7-4-3-5-18-9(7)11)17-6-12(15,16)10(13)14/h7-10,17H,3-6H2,1-2H3.
What are the key properties of 8,8-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-2-oxabicyclo[4.2.0]octan-7-amine?
8,8-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-2-oxabicyclo[4.2.0]octan-7-amine has a molecular weight of 269.28 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-2-oxabicyclo[4.2.0]octan-7-amine is sourced from PubChem (CID 114168995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).