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

C11H18F3NO — CID 64863978

IUPAC8,8-dimethyl-N-(2,2,2-trifluoroethyl)-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCC1(C)C(NCC(F)(F)F)C2CCCOC21
InChIInChI=1S/C11H18F3NO/c1-10(2)8(15-6-11(12,13)14)7-4-3-5-16-9(7)10/h7-9,15H,3-6H2,1-2H3
InChIKeyNDACWNIMGOQPAN-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.34
Rot. Bonds2

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

8,8-dimethyl-N-(2,2,2-trifluoroethyl)-2-oxabicyclo[4.2.0]octan-7-amine (PubChem CID 64863978) has the molecular formula C11H18F3NO and a molecular weight of 237.26 g/mol. Its IUPAC name is 8,8-dimethyl-N-(2,2,2-trifluoroethyl)-2-oxabicyclo[4.2.0]octan-7-amine.

Molecular Properties

Compound Name8,8-dimethyl-N-(2,2,2-trifluoroethyl)-2-oxabicyclo[4.2.0]octan-7-amine
PubChem CID64863978
Molecular FormulaC11H18F3NO
Molecular Weight237.26 g/mol
Exact Mass237.13
IUPAC Name8,8-dimethyl-N-(2,2,2-trifluoroethyl)-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCC1(C)C(NCC(F)(F)F)C2CCCOC21
InChIInChI=1S/C11H18F3NO/c1-10(2)8(15-6-11(12,13)14)7-4-3-5-16-9(7)10/h7-9,15H,3-6H2,1-2H3
InChIKeyNDACWNIMGOQPAN-UHFFFAOYSA-N
XLogP2.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.34
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-(2,2,2-trifluoroethyl)-2-oxabicyclo[4.2.0]octan-7-amine?
The IUPAC name of 8,8-dimethyl-N-(2,2,2-trifluoroethyl)-2-oxabicyclo[4.2.0]octan-7-amine (CID 64863978) is 8,8-dimethyl-N-(2,2,2-trifluoroethyl)-2-oxabicyclo[4.2.0]octan-7-amine.
What is the SMILES notation for 8,8-dimethyl-N-(2,2,2-trifluoroethyl)-2-oxabicyclo[4.2.0]octan-7-amine?
The canonical SMILES for 8,8-dimethyl-N-(2,2,2-trifluoroethyl)-2-oxabicyclo[4.2.0]octan-7-amine is CC1(C)C(NCC(F)(F)F)C2CCCOC21.
What is the InChIKey of 8,8-dimethyl-N-(2,2,2-trifluoroethyl)-2-oxabicyclo[4.2.0]octan-7-amine?
The InChIKey is NDACWNIMGOQPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO/c1-10(2)8(15-6-11(12,13)14)7-4-3-5-16-9(7)10/h7-9,15H,3-6H2,1-2H3.
What are the key properties of 8,8-dimethyl-N-(2,2,2-trifluoroethyl)-2-oxabicyclo[4.2.0]octan-7-amine?
8,8-dimethyl-N-(2,2,2-trifluoroethyl)-2-oxabicyclo[4.2.0]octan-7-amine has a molecular weight of 237.26 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-N-(2,2,2-trifluoroethyl)-2-oxabicyclo[4.2.0]octan-7-amine is sourced from PubChem (CID 64863978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).