ethane;3-methyl-1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane

C9H16F3N — CID 169175885

IUPACethane;3-methyl-1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane
SMILESCC.CN1CC2CC2(C(F)(F)F)C1
InChIInChI=1S/C7H10F3N.C2H6/c1-11-3-5-2-6(5,4-11)7(8,9)10;1-2/h5H,2-4H2,1H3;1-2H3
InChIKeyNZJLOSUZBKCYGN-UHFFFAOYSA-N
MW195.23 g/mol
LogP2.53
Rot. Bonds

About ethane;3-methyl-1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane

ethane;3-methyl-1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane (PubChem CID 169175885) has the molecular formula C9H16F3N and a molecular weight of 195.23 g/mol. Its IUPAC name is ethane;3-methyl-1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Nameethane;3-methyl-1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane
PubChem CID169175885
Molecular FormulaC9H16F3N
Molecular Weight195.23 g/mol
Exact Mass195.12
IUPAC Nameethane;3-methyl-1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane
SMILESCC.CN1CC2CC2(C(F)(F)F)C1
InChIInChI=1S/C7H10F3N.C2H6/c1-11-3-5-2-6(5,4-11)7(8,9)10;1-2/h5H,2-4H2,1H3;1-2H3
InChIKeyNZJLOSUZBKCYGN-UHFFFAOYSA-N
XLogP2.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane?
The IUPAC name of ethane;3-methyl-1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane (CID 169175885) is ethane;3-methyl-1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for ethane;3-methyl-1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for ethane;3-methyl-1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane is CC.CN1CC2CC2(C(F)(F)F)C1.
What is the InChIKey of ethane;3-methyl-1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane?
The InChIKey is NZJLOSUZBKCYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N.C2H6/c1-11-3-5-2-6(5,4-11)7(8,9)10;1-2/h5H,2-4H2,1H3;1-2H3.
What are the key properties of ethane;3-methyl-1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane?
ethane;3-methyl-1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane has a molecular weight of 195.23 g/mol, XLogP of 2.53, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 169175885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).