8,8-dimethyl-N-(4,4,4-trifluorobutan-2-yl)-2-oxabicyclo[4.2.0]octan-7-amine

C13H22F3NO — CID 103786171

IUPAC8,8-dimethyl-N-(4,4,4-trifluorobutan-2-yl)-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCC(CC(F)(F)F)NC1C2CCCOC2C1(C)C
InChIInChI=1S/C13H22F3NO/c1-8(7-13(14,15)16)17-10-9-5-4-6-18-11(9)12(10,2)3/h8-11,17H,4-7H2,1-3H3
InChIKeyOUVBWNKMXGBBOZ-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.12
Rot. Bonds3

About 8,8-dimethyl-N-(4,4,4-trifluorobutan-2-yl)-2-oxabicyclo[4.2.0]octan-7-amine

8,8-dimethyl-N-(4,4,4-trifluorobutan-2-yl)-2-oxabicyclo[4.2.0]octan-7-amine (PubChem CID 103786171) has the molecular formula C13H22F3NO and a molecular weight of 265.32 g/mol. Its IUPAC name is 8,8-dimethyl-N-(4,4,4-trifluorobutan-2-yl)-2-oxabicyclo[4.2.0]octan-7-amine.

Molecular Properties

Compound Name8,8-dimethyl-N-(4,4,4-trifluorobutan-2-yl)-2-oxabicyclo[4.2.0]octan-7-amine
PubChem CID103786171
Molecular FormulaC13H22F3NO
Molecular Weight265.32 g/mol
Exact Mass265.17
IUPAC Name8,8-dimethyl-N-(4,4,4-trifluorobutan-2-yl)-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCC(CC(F)(F)F)NC1C2CCCOC2C1(C)C
InChIInChI=1S/C13H22F3NO/c1-8(7-13(14,15)16)17-10-9-5-4-6-18-11(9)12(10,2)3/h8-11,17H,4-7H2,1-3H3
InChIKeyOUVBWNKMXGBBOZ-UHFFFAOYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-N-(4,4,4-trifluorobutan-2-yl)-2-oxabicyclo[4.2.0]octan-7-amine?
The IUPAC name of 8,8-dimethyl-N-(4,4,4-trifluorobutan-2-yl)-2-oxabicyclo[4.2.0]octan-7-amine (CID 103786171) is 8,8-dimethyl-N-(4,4,4-trifluorobutan-2-yl)-2-oxabicyclo[4.2.0]octan-7-amine.
What is the SMILES notation for 8,8-dimethyl-N-(4,4,4-trifluorobutan-2-yl)-2-oxabicyclo[4.2.0]octan-7-amine?
The canonical SMILES for 8,8-dimethyl-N-(4,4,4-trifluorobutan-2-yl)-2-oxabicyclo[4.2.0]octan-7-amine is CC(CC(F)(F)F)NC1C2CCCOC2C1(C)C.
What is the InChIKey of 8,8-dimethyl-N-(4,4,4-trifluorobutan-2-yl)-2-oxabicyclo[4.2.0]octan-7-amine?
The InChIKey is OUVBWNKMXGBBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO/c1-8(7-13(14,15)16)17-10-9-5-4-6-18-11(9)12(10,2)3/h8-11,17H,4-7H2,1-3H3.
What are the key properties of 8,8-dimethyl-N-(4,4,4-trifluorobutan-2-yl)-2-oxabicyclo[4.2.0]octan-7-amine?
8,8-dimethyl-N-(4,4,4-trifluorobutan-2-yl)-2-oxabicyclo[4.2.0]octan-7-amine has a molecular weight of 265.32 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-N-(4,4,4-trifluorobutan-2-yl)-2-oxabicyclo[4.2.0]octan-7-amine is sourced from PubChem (CID 103786171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).