4-(3-fluorophenyl)-2-azabicyclo[2.1.1]hexane

C11H12FN — CID 115014869

IUPAC4-(3-fluorophenyl)-2-azabicyclo[2.1.1]hexane
SMILESFc1cccc(C23CNC(C2)C3)c1
InChIInChI=1S/C11H12FN/c12-9-3-1-2-8(4-9)11-5-10(6-11)13-7-11/h1-4,10,13H,5-7H2
InChIKeyNABPMTCHZVLMDV-UHFFFAOYSA-N
MW177.22 g/mol
LogP1.83
Rot. Bonds1

About 4-(3-fluorophenyl)-2-azabicyclo[2.1.1]hexane

4-(3-fluorophenyl)-2-azabicyclo[2.1.1]hexane (PubChem CID 115014869) has the molecular formula C11H12FN and a molecular weight of 177.22 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-2-azabicyclo[2.1.1]hexane.

Molecular Properties

Compound Name4-(3-fluorophenyl)-2-azabicyclo[2.1.1]hexane
PubChem CID115014869
Molecular FormulaC11H12FN
Molecular Weight177.22 g/mol
Exact Mass177.10
IUPAC Name4-(3-fluorophenyl)-2-azabicyclo[2.1.1]hexane
SMILESFc1cccc(C23CNC(C2)C3)c1
InChIInChI=1S/C11H12FN/c12-9-3-1-2-8(4-9)11-5-10(6-11)13-7-11/h1-4,10,13H,5-7H2
InChIKeyNABPMTCHZVLMDV-UHFFFAOYSA-N
XLogP1.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-phenyl-2-azabicyclo[2.1.1]hexane
CID 105431272
5-(3-fluorophenyl)-3-azabicyclo[3.2.1]octan-2-one
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5-fluoro-5-(3-fluorophenyl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 115033859
2-(3-fluorophenyl)-2-methylcyclopropan-1-amine
CID 62387493
(1R)-2-(3-fluorophenyl)-2-methylcyclopropan-1-amine
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1-(3-fluorophenyl)-2-methylcyclopropan-1-ol
CID 79333941
4-(3-fluorophenyl)-2-methylpiperidin-4-ol
CID 83820643
1-[2-(3-fluorophenyl)-2-methylcyclopropyl]-N-methylmethanamine
CID 62703823
4-(2-fluorophenyl)-2-azabicyclo[2.2.1]heptane
CID 115063858
1-fluoro-3-(1-methylcyclopropyl)benzene
CID 90779989
1-(3-fluorophenyl)-3,5-dimethylcyclohexan-1-ol
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CID 53256538

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-2-azabicyclo[2.1.1]hexane?
The IUPAC name of 4-(3-fluorophenyl)-2-azabicyclo[2.1.1]hexane (CID 115014869) is 4-(3-fluorophenyl)-2-azabicyclo[2.1.1]hexane.
What is the SMILES notation for 4-(3-fluorophenyl)-2-azabicyclo[2.1.1]hexane?
The canonical SMILES for 4-(3-fluorophenyl)-2-azabicyclo[2.1.1]hexane is Fc1cccc(C23CNC(C2)C3)c1.
What is the InChIKey of 4-(3-fluorophenyl)-2-azabicyclo[2.1.1]hexane?
The InChIKey is NABPMTCHZVLMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN/c12-9-3-1-2-8(4-9)11-5-10(6-11)13-7-11/h1-4,10,13H,5-7H2.
What are the key properties of 4-(3-fluorophenyl)-2-azabicyclo[2.1.1]hexane?
4-(3-fluorophenyl)-2-azabicyclo[2.1.1]hexane has a molecular weight of 177.22 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-2-azabicyclo[2.1.1]hexane is sourced from PubChem (CID 115014869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).