6-(2,5-difluorophenyl)-3-azabicyclo[3.1.0]hexane

C11H11F2N — CID 83818540

IUPAC6-(2,5-difluorophenyl)-3-azabicyclo[3.1.0]hexane
SMILESFc1ccc(F)c(C2C3CNCC32)c1
InChIInChI=1S/C11H11F2N/c12-6-1-2-10(13)7(3-6)11-8-4-14-5-9(8)11/h1-3,8-9,11,14H,4-5H2
InChIKeyLFBGWCUPNYPBBE-UHFFFAOYSA-N
MW195.21 g/mol
LogP1.90
Rot. Bonds1

About 6-(2,5-difluorophenyl)-3-azabicyclo[3.1.0]hexane

6-(2,5-difluorophenyl)-3-azabicyclo[3.1.0]hexane (PubChem CID 83818540) has the molecular formula C11H11F2N and a molecular weight of 195.21 g/mol. Its IUPAC name is 6-(2,5-difluorophenyl)-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name6-(2,5-difluorophenyl)-3-azabicyclo[3.1.0]hexane
PubChem CID83818540
Molecular FormulaC11H11F2N
Molecular Weight195.21 g/mol
Exact Mass195.09
IUPAC Name6-(2,5-difluorophenyl)-3-azabicyclo[3.1.0]hexane
SMILESFc1ccc(F)c(C2C3CNCC32)c1
InChIInChI=1S/C11H11F2N/c12-6-1-2-10(13)7(3-6)11-8-4-14-5-9(8)11/h1-3,8-9,11,14H,4-5H2
InChIKeyLFBGWCUPNYPBBE-UHFFFAOYSA-N
XLogP1.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2,5-difluorophenyl)imidazolidine
CID 174840192
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CID 55278103
(2S)-2-(2,5-difluorophenyl)pyrrolidine
CID 7176288
(4R)-4-(2,5-difluorophenyl)-3,4-dihydro-2H-pyrrole
CID 174673090
4-(2,5-difluorophenyl)-3-ethylpiperidine
CID 79320741
(7S)-7-(2,5-difluorophenyl)-1,4-thiazepane
CID 124680748
(2R)-2-(2,5-difluorophenyl)-1,3-thiazolidine
CID 129367470
CID 174947937
CID 174947937
(3R,4S)-4-(2,4-difluorophenyl)pyrrolidin-3-amine
CID 89033636
azetidin-3-yl-(2,5-difluorophenyl)methanol
CID 130510268
4-(2,5-difluorophenyl)cyclohexan-1-amine
CID 83261679
4-(2,5-difluorophenyl)cyclohexan-1-ol
CID 116963227

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-difluorophenyl)-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 6-(2,5-difluorophenyl)-3-azabicyclo[3.1.0]hexane (CID 83818540) is 6-(2,5-difluorophenyl)-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 6-(2,5-difluorophenyl)-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 6-(2,5-difluorophenyl)-3-azabicyclo[3.1.0]hexane is Fc1ccc(F)c(C2C3CNCC32)c1.
What is the InChIKey of 6-(2,5-difluorophenyl)-3-azabicyclo[3.1.0]hexane?
The InChIKey is LFBGWCUPNYPBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N/c12-6-1-2-10(13)7(3-6)11-8-4-14-5-9(8)11/h1-3,8-9,11,14H,4-5H2.
What are the key properties of 6-(2,5-difluorophenyl)-3-azabicyclo[3.1.0]hexane?
6-(2,5-difluorophenyl)-3-azabicyclo[3.1.0]hexane has a molecular weight of 195.21 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-difluorophenyl)-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 83818540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).