(1S,5S)-2-methyl-6-(trifluoromethyl)-2-azabicyclo[3.1.0]hexane

C7H10F3N — CID 177157030

IUPAC(1S,5S)-2-methyl-6-(trifluoromethyl)-2-azabicyclo[3.1.0]hexane
SMILESCN1CC[C@H]2C(C(F)(F)F)[C@H]21
InChIInChI=1S/C7H10F3N/c1-11-3-2-4-5(6(4)11)7(8,9)10/h4-6H,2-3H2,1H3/t4-,5?,6-/m0/s1
InChIKeyIOPINTPYESJNHA-BZWZBFKDSA-N
MW165.16 g/mol
LogP1.50
Rot. Bonds

About (1S,5S)-2-methyl-6-(trifluoromethyl)-2-azabicyclo[3.1.0]hexane

(1S,5S)-2-methyl-6-(trifluoromethyl)-2-azabicyclo[3.1.0]hexane (PubChem CID 177157030) has the molecular formula C7H10F3N and a molecular weight of 165.16 g/mol. Its IUPAC name is (1S,5S)-2-methyl-6-(trifluoromethyl)-2-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1S,5S)-2-methyl-6-(trifluoromethyl)-2-azabicyclo[3.1.0]hexane
PubChem CID177157030
Molecular FormulaC7H10F3N
Molecular Weight165.16 g/mol
Exact Mass165.08
IUPAC Name(1S,5S)-2-methyl-6-(trifluoromethyl)-2-azabicyclo[3.1.0]hexane
SMILESCN1CC[C@H]2C(C(F)(F)F)[C@H]21
InChIInChI=1S/C7H10F3N/c1-11-3-2-4-5(6(4)11)7(8,9)10/h4-6H,2-3H2,1H3/t4-,5?,6-/m0/s1
InChIKeyIOPINTPYESJNHA-BZWZBFKDSA-N
XLogP1.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.16
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,5S)-2-methyl-6-(trifluoromethyl)-2-azabicyclo[3.1.0]hexane?
The IUPAC name of (1S,5S)-2-methyl-6-(trifluoromethyl)-2-azabicyclo[3.1.0]hexane (CID 177157030) is (1S,5S)-2-methyl-6-(trifluoromethyl)-2-azabicyclo[3.1.0]hexane.
What is the SMILES notation for (1S,5S)-2-methyl-6-(trifluoromethyl)-2-azabicyclo[3.1.0]hexane?
The canonical SMILES for (1S,5S)-2-methyl-6-(trifluoromethyl)-2-azabicyclo[3.1.0]hexane is CN1CC[C@H]2C(C(F)(F)F)[C@H]21.
What is the InChIKey of (1S,5S)-2-methyl-6-(trifluoromethyl)-2-azabicyclo[3.1.0]hexane?
The InChIKey is IOPINTPYESJNHA-BZWZBFKDSA-N. The full InChI is InChI=1S/C7H10F3N/c1-11-3-2-4-5(6(4)11)7(8,9)10/h4-6H,2-3H2,1H3/t4-,5?,6-/m0/s1.
What are the key properties of (1S,5S)-2-methyl-6-(trifluoromethyl)-2-azabicyclo[3.1.0]hexane?
(1S,5S)-2-methyl-6-(trifluoromethyl)-2-azabicyclo[3.1.0]hexane has a molecular weight of 165.16 g/mol, XLogP of 1.50, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-2-methyl-6-(trifluoromethyl)-2-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 177157030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).