3-(3-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol

C13H16FNO — CID 45106463

IUPAC3-(3-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1(c2cccc(F)c2)CC2CCC(C1)N2
InChIInChI=1S/C13H16FNO/c14-10-3-1-2-9(6-10)13(16)7-11-4-5-12(8-13)15-11/h1-3,6,11-12,15-16H,4-5,7-8H2
InChIKeyYTDPINKXASLRKY-UHFFFAOYSA-N
MW221.27 g/mol
LogP1.93
Rot. Bonds1

About 3-(3-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol

3-(3-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 45106463) has the molecular formula C13H16FNO and a molecular weight of 221.27 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name3-(3-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID45106463
Molecular FormulaC13H16FNO
Molecular Weight221.27 g/mol
Exact Mass221.12
IUPAC Name3-(3-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1(c2cccc(F)c2)CC2CCC(C1)N2
InChIInChI=1S/C13H16FNO/c14-10-3-1-2-9(6-10)13(16)7-11-4-5-12(8-13)15-11/h1-3,6,11-12,15-16H,4-5,7-8H2
InChIKeyYTDPINKXASLRKY-UHFFFAOYSA-N
XLogP1.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 3-(3-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol (CID 45106463) is 3-(3-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 3-(3-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 3-(3-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol is OC1(c2cccc(F)c2)CC2CCC(C1)N2.
What is the InChIKey of 3-(3-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is YTDPINKXASLRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO/c14-10-3-1-2-9(6-10)13(16)7-11-4-5-12(8-13)15-11/h1-3,6,11-12,15-16H,4-5,7-8H2.
What are the key properties of 3-(3-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol?
3-(3-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 221.27 g/mol, XLogP of 1.93, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 45106463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).