(1S,6S,7R)-7-(trifluoromethyl)-2-azabicyclo[4.1.0]heptane

C7H10F3N — CID 96869406

IUPAC(1S,6S,7R)-7-(trifluoromethyl)-2-azabicyclo[4.1.0]heptane
SMILESFC(F)(F)[C@@H]1[C@@H]2CCCN[C@@H]21
InChIInChI=1S/C7H10F3N/c8-7(9,10)5-4-2-1-3-11-6(4)5/h4-6,11H,1-3H2/t4-,5+,6-/m0/s1
InChIKeyCEPLETWJBJZUIU-JKUQZMGJSA-N
MW165.16 g/mol
LogP1.55
Rot. Bonds

About (1S,6S,7R)-7-(trifluoromethyl)-2-azabicyclo[4.1.0]heptane

(1S,6S,7R)-7-(trifluoromethyl)-2-azabicyclo[4.1.0]heptane (PubChem CID 96869406) has the molecular formula C7H10F3N and a molecular weight of 165.16 g/mol. Its IUPAC name is (1S,6S,7R)-7-(trifluoromethyl)-2-azabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name(1S,6S,7R)-7-(trifluoromethyl)-2-azabicyclo[4.1.0]heptane
PubChem CID96869406
Molecular FormulaC7H10F3N
Molecular Weight165.16 g/mol
Exact Mass165.08
IUPAC Name(1S,6S,7R)-7-(trifluoromethyl)-2-azabicyclo[4.1.0]heptane
SMILESFC(F)(F)[C@@H]1[C@@H]2CCCN[C@@H]21
InChIInChI=1S/C7H10F3N/c8-7(9,10)5-4-2-1-3-11-6(4)5/h4-6,11H,1-3H2/t4-,5+,6-/m0/s1
InChIKeyCEPLETWJBJZUIU-JKUQZMGJSA-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 (1S,6S,7R)-7-(trifluoromethyl)-2-azabicyclo[4.1.0]heptane?
The IUPAC name of (1S,6S,7R)-7-(trifluoromethyl)-2-azabicyclo[4.1.0]heptane (CID 96869406) is (1S,6S,7R)-7-(trifluoromethyl)-2-azabicyclo[4.1.0]heptane.
What is the SMILES notation for (1S,6S,7R)-7-(trifluoromethyl)-2-azabicyclo[4.1.0]heptane?
The canonical SMILES for (1S,6S,7R)-7-(trifluoromethyl)-2-azabicyclo[4.1.0]heptane is FC(F)(F)[C@@H]1[C@@H]2CCCN[C@@H]21.
What is the InChIKey of (1S,6S,7R)-7-(trifluoromethyl)-2-azabicyclo[4.1.0]heptane?
The InChIKey is CEPLETWJBJZUIU-JKUQZMGJSA-N. The full InChI is InChI=1S/C7H10F3N/c8-7(9,10)5-4-2-1-3-11-6(4)5/h4-6,11H,1-3H2/t4-,5+,6-/m0/s1.
What are the key properties of (1S,6S,7R)-7-(trifluoromethyl)-2-azabicyclo[4.1.0]heptane?
(1S,6S,7R)-7-(trifluoromethyl)-2-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 (1S,6S,7R)-7-(trifluoromethyl)-2-azabicyclo[4.1.0]heptane is sourced from PubChem (CID 96869406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).