1-(trifluoromethyl)-2-[5-(trifluoromethyl)piperidin-2-yl]-3-azabicyclo[3.1.0]hexane

C12H16F6N2 — CID 155262827

IUPAC1-(trifluoromethyl)-2-[5-(trifluoromethyl)piperidin-2-yl]-3-azabicyclo[3.1.0]hexane
SMILESFC(F)(F)C1CCC(C2NCC3CC32C(F)(F)F)NC1
InChIInChI=1S/C12H16F6N2/c13-11(14,15)6-1-2-8(19-4-6)9-10(12(16,17)18)3-7(10)5-20-9/h6-9,19-20H,1-5H2
InChIKeyOVPQZAFLYCJDSC-UHFFFAOYSA-N
MW302.26 g/mol
LogP2.46
Rot. Bonds1

About 1-(trifluoromethyl)-2-[5-(trifluoromethyl)piperidin-2-yl]-3-azabicyclo[3.1.0]hexane

1-(trifluoromethyl)-2-[5-(trifluoromethyl)piperidin-2-yl]-3-azabicyclo[3.1.0]hexane (PubChem CID 155262827) has the molecular formula C12H16F6N2 and a molecular weight of 302.26 g/mol. Its IUPAC name is 1-(trifluoromethyl)-2-[5-(trifluoromethyl)piperidin-2-yl]-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name1-(trifluoromethyl)-2-[5-(trifluoromethyl)piperidin-2-yl]-3-azabicyclo[3.1.0]hexane
PubChem CID155262827
Molecular FormulaC12H16F6N2
Molecular Weight302.26 g/mol
Exact Mass302.12
IUPAC Name1-(trifluoromethyl)-2-[5-(trifluoromethyl)piperidin-2-yl]-3-azabicyclo[3.1.0]hexane
SMILESFC(F)(F)C1CCC(C2NCC3CC32C(F)(F)F)NC1
InChIInChI=1S/C12H16F6N2/c13-11(14,15)6-1-2-8(19-4-6)9-10(12(16,17)18)3-7(10)5-20-9/h6-9,19-20H,1-5H2
InChIKeyOVPQZAFLYCJDSC-UHFFFAOYSA-N
XLogP2.46
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.26
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)-2-[5-(trifluoromethyl)piperidin-2-yl]-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 1-(trifluoromethyl)-2-[5-(trifluoromethyl)piperidin-2-yl]-3-azabicyclo[3.1.0]hexane (CID 155262827) is 1-(trifluoromethyl)-2-[5-(trifluoromethyl)piperidin-2-yl]-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 1-(trifluoromethyl)-2-[5-(trifluoromethyl)piperidin-2-yl]-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 1-(trifluoromethyl)-2-[5-(trifluoromethyl)piperidin-2-yl]-3-azabicyclo[3.1.0]hexane is FC(F)(F)C1CCC(C2NCC3CC32C(F)(F)F)NC1.
What is the InChIKey of 1-(trifluoromethyl)-2-[5-(trifluoromethyl)piperidin-2-yl]-3-azabicyclo[3.1.0]hexane?
The InChIKey is OVPQZAFLYCJDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F6N2/c13-11(14,15)6-1-2-8(19-4-6)9-10(12(16,17)18)3-7(10)5-20-9/h6-9,19-20H,1-5H2.
What are the key properties of 1-(trifluoromethyl)-2-[5-(trifluoromethyl)piperidin-2-yl]-3-azabicyclo[3.1.0]hexane?
1-(trifluoromethyl)-2-[5-(trifluoromethyl)piperidin-2-yl]-3-azabicyclo[3.1.0]hexane has a molecular weight of 302.26 g/mol, XLogP of 2.46, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)-2-[5-(trifluoromethyl)piperidin-2-yl]-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 155262827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).