(1S,5S)-1-(5-fluorothiophen-2-yl)-3-azabicyclo[3.1.0]hexane

C9H10FNS — CID 44561256

IUPAC(1S,5S)-1-(5-fluorothiophen-2-yl)-3-azabicyclo[3.1.0]hexane
SMILESFc1ccc([C@]23CNC[C@H]2C3)s1
InChIInChI=1S/C9H10FNS/c10-8-2-1-7(12-8)9-3-6(9)4-11-5-9/h1-2,6,11H,3-5H2/t6-,9-/m1/s1
InChIKeyRVRPCMWCFJXWDX-HZGVNTEJSA-N
MW183.25 g/mol
LogP1.75
Rot. Bonds1

About (1S,5S)-1-(5-fluorothiophen-2-yl)-3-azabicyclo[3.1.0]hexane

(1S,5S)-1-(5-fluorothiophen-2-yl)-3-azabicyclo[3.1.0]hexane (PubChem CID 44561256) has the molecular formula C9H10FNS and a molecular weight of 183.25 g/mol. Its IUPAC name is (1S,5S)-1-(5-fluorothiophen-2-yl)-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1S,5S)-1-(5-fluorothiophen-2-yl)-3-azabicyclo[3.1.0]hexane
PubChem CID44561256
Molecular FormulaC9H10FNS
Molecular Weight183.25 g/mol
Exact Mass183.05
IUPAC Name(1S,5S)-1-(5-fluorothiophen-2-yl)-3-azabicyclo[3.1.0]hexane
SMILESFc1ccc([C@]23CNC[C@H]2C3)s1
InChIInChI=1S/C9H10FNS/c10-8-2-1-7(12-8)9-3-6(9)4-11-5-9/h1-2,6,11H,3-5H2/t6-,9-/m1/s1
InChIKeyRVRPCMWCFJXWDX-HZGVNTEJSA-N
XLogP1.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,5S)-1-(5-fluorothiophen-2-yl)-3-azabicyclo[3.1.0]hexane?
The IUPAC name of (1S,5S)-1-(5-fluorothiophen-2-yl)-3-azabicyclo[3.1.0]hexane (CID 44561256) is (1S,5S)-1-(5-fluorothiophen-2-yl)-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for (1S,5S)-1-(5-fluorothiophen-2-yl)-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for (1S,5S)-1-(5-fluorothiophen-2-yl)-3-azabicyclo[3.1.0]hexane is Fc1ccc([C@]23CNC[C@H]2C3)s1.
What is the InChIKey of (1S,5S)-1-(5-fluorothiophen-2-yl)-3-azabicyclo[3.1.0]hexane?
The InChIKey is RVRPCMWCFJXWDX-HZGVNTEJSA-N. The full InChI is InChI=1S/C9H10FNS/c10-8-2-1-7(12-8)9-3-6(9)4-11-5-9/h1-2,6,11H,3-5H2/t6-,9-/m1/s1.
What are the key properties of (1S,5S)-1-(5-fluorothiophen-2-yl)-3-azabicyclo[3.1.0]hexane?
(1S,5S)-1-(5-fluorothiophen-2-yl)-3-azabicyclo[3.1.0]hexane has a molecular weight of 183.25 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-1-(5-fluorothiophen-2-yl)-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 44561256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).