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3-fluoro-3-(5-fluoro-2-methylphenyl)-8-azabicyclo[3.2.1]octane

C14H17F2N — CID 112564470

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-fluoro-3-(5-fluoro-2-methylphenyl)-8-azabicyclo[3.2.1]octane
SMILESCc1ccc(F)cc1C1(F)CC2CCC(C1)N2
InChIInChI=1S/C14H17F2N/c1-9-2-3-10(15)6-13(9)14(16)7-11-4-5-12(8-14)17-11/h2-3,6,11-12,17H,4-5,7-8H2,1H3
InChIKeyHNZAUKAGGOFXLZ-UHFFFAOYSA-N
MW237.29 g/mol
LogP3.21
Rot. Bonds1

About 3-fluoro-3-(5-fluoro-2-methylphenyl)-8-azabicyclo[3.2.1]octane

3-fluoro-3-(5-fluoro-2-methylphenyl)-8-azabicyclo[3.2.1]octane (PubChem CID 112564470) has the molecular formula C14H17F2N and a molecular weight of 237.29 g/mol. Its IUPAC name is 3-fluoro-3-(5-fluoro-2-methylphenyl)-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-fluoro-3-(5-fluoro-2-methylphenyl)-8-azabicyclo[3.2.1]octane
PubChem CID112564470
Molecular FormulaC14H17F2N
Molecular Weight237.29 g/mol
Exact Mass237.13
IUPAC Name3-fluoro-3-(5-fluoro-2-methylphenyl)-8-azabicyclo[3.2.1]octane
SMILESCc1ccc(F)cc1C1(F)CC2CCC(C1)N2
InChIInChI=1S/C14H17F2N/c1-9-2-3-10(15)6-13(9)14(16)7-11-4-5-12(8-14)17-11/h2-3,6,11-12,17H,4-5,7-8H2,1H3
InChIKeyHNZAUKAGGOFXLZ-UHFFFAOYSA-N
XLogP3.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(5-fluoro-2-methylphenyl)-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-fluoro-3-(5-fluoro-2-methylphenyl)-8-azabicyclo[3.2.1]octane (CID 112564470) is 3-fluoro-3-(5-fluoro-2-methylphenyl)-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-fluoro-3-(5-fluoro-2-methylphenyl)-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-fluoro-3-(5-fluoro-2-methylphenyl)-8-azabicyclo[3.2.1]octane is Cc1ccc(F)cc1C1(F)CC2CCC(C1)N2.
What is the InChIKey of 3-fluoro-3-(5-fluoro-2-methylphenyl)-8-azabicyclo[3.2.1]octane?
The InChIKey is HNZAUKAGGOFXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N/c1-9-2-3-10(15)6-13(9)14(16)7-11-4-5-12(8-14)17-11/h2-3,6,11-12,17H,4-5,7-8H2,1H3.
What are the key properties of 3-fluoro-3-(5-fluoro-2-methylphenyl)-8-azabicyclo[3.2.1]octane?
3-fluoro-3-(5-fluoro-2-methylphenyl)-8-azabicyclo[3.2.1]octane has a molecular weight of 237.29 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(5-fluoro-2-methylphenyl)-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 112564470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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