(5S)-3-(2-fluoro-2-methylpropyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane

C11H20FN — CID 138636260

IUPAC(5S)-3-(2-fluoro-2-methylpropyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane
SMILESCC(C)(F)CN1CC2[C@H](C1)C2(C)C
InChIInChI=1S/C11H20FN/c1-10(2,12)7-13-5-8-9(6-13)11(8,3)4/h8-9H,5-7H2,1-4H3/t8-,9?/m0/s1
InChIKeyDEWITGNWDRIHNI-IENPIDJESA-N
MW185.29 g/mol
LogP2.32
Rot. Bonds2

About (5S)-3-(2-fluoro-2-methylpropyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane

(5S)-3-(2-fluoro-2-methylpropyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane (PubChem CID 138636260) has the molecular formula C11H20FN and a molecular weight of 185.29 g/mol. Its IUPAC name is (5S)-3-(2-fluoro-2-methylpropyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(5S)-3-(2-fluoro-2-methylpropyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane
PubChem CID138636260
Molecular FormulaC11H20FN
Molecular Weight185.29 g/mol
Exact Mass185.16
IUPAC Name(5S)-3-(2-fluoro-2-methylpropyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane
SMILESCC(C)(F)CN1CC2[C@H](C1)C2(C)C
InChIInChI=1S/C11H20FN/c1-10(2,12)7-13-5-8-9(6-13)11(8,3)4/h8-9H,5-7H2,1-4H3/t8-,9?/m0/s1
InChIKeyDEWITGNWDRIHNI-IENPIDJESA-N
XLogP2.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (5S)-3-(2-fluoro-2-methylpropyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5S)-3-(2-fluoro-2-methylpropyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane?
The IUPAC name of (5S)-3-(2-fluoro-2-methylpropyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane (CID 138636260) is (5S)-3-(2-fluoro-2-methylpropyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for (5S)-3-(2-fluoro-2-methylpropyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for (5S)-3-(2-fluoro-2-methylpropyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane is CC(C)(F)CN1CC2[C@H](C1)C2(C)C.
What is the InChIKey of (5S)-3-(2-fluoro-2-methylpropyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane?
The InChIKey is DEWITGNWDRIHNI-IENPIDJESA-N. The full InChI is InChI=1S/C11H20FN/c1-10(2,12)7-13-5-8-9(6-13)11(8,3)4/h8-9H,5-7H2,1-4H3/t8-,9?/m0/s1.
What are the key properties of (5S)-3-(2-fluoro-2-methylpropyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane?
(5S)-3-(2-fluoro-2-methylpropyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane has a molecular weight of 185.29 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(2-fluoro-2-methylpropyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 138636260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).