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

C14H17F2N — CID 112564470

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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Related Compounds

3-(3,4-dimethylphenyl)-3-fluoro-8-azabicyclo[3.2.1]octane
CID 112564717
3-fluoro-3-[2-methyl-4-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octane
CID 102756584
7-(5-fluoro-2-methylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171959249
1-(5-fluoro-2-methylphenyl)-3-methylcyclopentan-1-amine
CID 64515524
3-(2,6-difluorophenyl)-3-fluoro-8-azabicyclo[3.2.1]octane
CID 112564653
3-[(5-fluoro-2-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171962325
3-(2-ethoxy-5-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171955105
2-[4-fluoro-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-3-yl)phenyl]acetonitrile
CID 171954137
2-(3-chloro-1-methylcyclopentyl)-4-fluoro-1-methylbenzene
CID 116540187
3-(2,6-dimethoxyphenyl)-3-fluoro-8-azabicyclo[3.2.1]octane
CID 116811438
1-(5-fluoro-2-methylphenyl)-3-methylcyclohexan-1-ol
CID 62788300
3-fluoro-3-(2-methoxy-4,6-dimethylphenyl)-8-azabicyclo[3.2.1]octane
CID 106681655

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).