(1S)-2-(2-fluoroethyl)-1,6-dimethyl-2-azabicyclo[3.1.0]hex-3-ene

C9H14FN — CID 163553832

IUPAC(1S)-2-(2-fluoroethyl)-1,6-dimethyl-2-azabicyclo[3.1.0]hex-3-ene
SMILESCC1C2C=CN(CCF)[C@@]12C
InChIInChI=1S/C9H14FN/c1-7-8-3-5-11(6-4-10)9(7,8)2/h3,5,7-8H,4,6H2,1-2H3/t7?,8?,9-/m0/s1
InChIKeyFLIQFRLWSJBWND-HACHORDNSA-N
MW155.22 g/mol
LogP1.81
Rot. Bonds2

About (1S)-2-(2-fluoroethyl)-1,6-dimethyl-2-azabicyclo[3.1.0]hex-3-ene

(1S)-2-(2-fluoroethyl)-1,6-dimethyl-2-azabicyclo[3.1.0]hex-3-ene (PubChem CID 163553832) has the molecular formula C9H14FN and a molecular weight of 155.22 g/mol. Its IUPAC name is (1S)-2-(2-fluoroethyl)-1,6-dimethyl-2-azabicyclo[3.1.0]hex-3-ene.

Molecular Properties

Compound Name(1S)-2-(2-fluoroethyl)-1,6-dimethyl-2-azabicyclo[3.1.0]hex-3-ene
PubChem CID163553832
Molecular FormulaC9H14FN
Molecular Weight155.22 g/mol
Exact Mass155.11
IUPAC Name(1S)-2-(2-fluoroethyl)-1,6-dimethyl-2-azabicyclo[3.1.0]hex-3-ene
SMILESCC1C2C=CN(CCF)[C@@]12C
InChIInChI=1S/C9H14FN/c1-7-8-3-5-11(6-4-10)9(7,8)2/h3,5,7-8H,4,6H2,1-2H3/t7?,8?,9-/m0/s1
InChIKeyFLIQFRLWSJBWND-HACHORDNSA-N
XLogP1.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-(2-fluoroethyl)-1,6-dimethyl-2-azabicyclo[3.1.0]hex-3-ene?
The IUPAC name of (1S)-2-(2-fluoroethyl)-1,6-dimethyl-2-azabicyclo[3.1.0]hex-3-ene (CID 163553832) is (1S)-2-(2-fluoroethyl)-1,6-dimethyl-2-azabicyclo[3.1.0]hex-3-ene.
What is the SMILES notation for (1S)-2-(2-fluoroethyl)-1,6-dimethyl-2-azabicyclo[3.1.0]hex-3-ene?
The canonical SMILES for (1S)-2-(2-fluoroethyl)-1,6-dimethyl-2-azabicyclo[3.1.0]hex-3-ene is CC1C2C=CN(CCF)[C@@]12C.
What is the InChIKey of (1S)-2-(2-fluoroethyl)-1,6-dimethyl-2-azabicyclo[3.1.0]hex-3-ene?
The InChIKey is FLIQFRLWSJBWND-HACHORDNSA-N. The full InChI is InChI=1S/C9H14FN/c1-7-8-3-5-11(6-4-10)9(7,8)2/h3,5,7-8H,4,6H2,1-2H3/t7?,8?,9-/m0/s1.
What are the key properties of (1S)-2-(2-fluoroethyl)-1,6-dimethyl-2-azabicyclo[3.1.0]hex-3-ene?
(1S)-2-(2-fluoroethyl)-1,6-dimethyl-2-azabicyclo[3.1.0]hex-3-ene has a molecular weight of 155.22 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-(2-fluoroethyl)-1,6-dimethyl-2-azabicyclo[3.1.0]hex-3-ene is sourced from PubChem (CID 163553832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).