6-(trifluoromethyl)-3-azabicyclo[4.1.0]heptane

C7H10F3N — CID 50989374

IUPAC6-(trifluoromethyl)-3-azabicyclo[4.1.0]heptane
SMILESFC(F)(F)C12CCNCC1C2
InChIInChI=1S/C7H10F3N/c8-7(9,10)6-1-2-11-4-5(6)3-6/h5,11H,1-4H2
InChIKeyHBGLOVDOAHTLPT-UHFFFAOYSA-N
MW165.16 g/mol
LogP1.55
Rot. Bonds

About 6-(trifluoromethyl)-3-azabicyclo[4.1.0]heptane

6-(trifluoromethyl)-3-azabicyclo[4.1.0]heptane (PubChem CID 50989374) has the molecular formula C7H10F3N and a molecular weight of 165.16 g/mol. Its IUPAC name is 6-(trifluoromethyl)-3-azabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name6-(trifluoromethyl)-3-azabicyclo[4.1.0]heptane
PubChem CID50989374
Molecular FormulaC7H10F3N
Molecular Weight165.16 g/mol
Exact Mass165.08
IUPAC Name6-(trifluoromethyl)-3-azabicyclo[4.1.0]heptane
SMILESFC(F)(F)C12CCNCC1C2
InChIInChI=1S/C7H10F3N/c8-7(9,10)6-1-2-11-4-5(6)3-6/h5,11H,1-4H2
InChIKeyHBGLOVDOAHTLPT-UHFFFAOYSA-N
XLogP1.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.16
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-3-azabicyclo[4.1.0]heptane?
The IUPAC name of 6-(trifluoromethyl)-3-azabicyclo[4.1.0]heptane (CID 50989374) is 6-(trifluoromethyl)-3-azabicyclo[4.1.0]heptane.
What is the SMILES notation for 6-(trifluoromethyl)-3-azabicyclo[4.1.0]heptane?
The canonical SMILES for 6-(trifluoromethyl)-3-azabicyclo[4.1.0]heptane is FC(F)(F)C12CCNCC1C2.
What is the InChIKey of 6-(trifluoromethyl)-3-azabicyclo[4.1.0]heptane?
The InChIKey is HBGLOVDOAHTLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N/c8-7(9,10)6-1-2-11-4-5(6)3-6/h5,11H,1-4H2.
What are the key properties of 6-(trifluoromethyl)-3-azabicyclo[4.1.0]heptane?
6-(trifluoromethyl)-3-azabicyclo[4.1.0]heptane has a molecular weight of 165.16 g/mol, XLogP of 1.55, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-3-azabicyclo[4.1.0]heptane is sourced from PubChem (CID 50989374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).