[5-fluoro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methanol

C13H16FNO2 — CID 66393104

IUPAC[5-fluoro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methanol
SMILESOCc1cc(F)ccc1N1CC2CCC(C1)O2
InChIInChI=1S/C13H16FNO2/c14-10-1-4-13(9(5-10)8-16)15-6-11-2-3-12(7-15)17-11/h1,4-5,11-12,16H,2-3,6-8H2
InChIKeyBQVSTLSGTLQWBQ-UHFFFAOYSA-N
MW237.27 g/mol
LogP1.69
Rot. Bonds2

About [5-fluoro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methanol

[5-fluoro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methanol (PubChem CID 66393104) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is [5-fluoro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methanol.

Molecular Properties

Compound Name[5-fluoro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methanol
PubChem CID66393104
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name[5-fluoro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methanol
SMILESOCc1cc(F)ccc1N1CC2CCC(C1)O2
InChIInChI=1S/C13H16FNO2/c14-10-1-4-13(9(5-10)8-16)15-6-11-2-3-12(7-15)17-11/h1,4-5,11-12,16H,2-3,6-8H2
InChIKeyBQVSTLSGTLQWBQ-UHFFFAOYSA-N
XLogP1.69
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methanol
CID 66393102
2-[4-fluoro-2-(hydroxymethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 113399306
1-[4-fluoro-2-(hydroxymethyl)phenyl]piperidin-3-ol
CID 61434288
[2-(1,3-dihydroisoindol-2-yl)-5-fluorophenyl]methanol
CID 62206262
[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-fluorophenyl]methanol
CID 79934838
2-[1-[4-fluoro-2-(hydroxymethyl)phenyl]piperidin-4-yl]oxyethanol
CID 82691559
ethyl 4-fluoro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)benzoate
CID 126482466
[3-fluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methanamine
CID 66392437
3-[4-(chloromethyl)-2-fluorophenyl]-8-oxa-3-azabicyclo[3.2.1]octane
CID 66393290
1-[4-fluoro-2-(hydroxymethyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168691708
[5-fluoro-2-(4-propylpiperazin-1-yl)phenyl]methanol
CID 43313182
[4-fluoro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]methanamine
CID 66393414

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methanol?
The IUPAC name of [5-fluoro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methanol (CID 66393104) is [5-fluoro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methanol.
What is the SMILES notation for [5-fluoro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methanol?
The canonical SMILES for [5-fluoro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methanol is OCc1cc(F)ccc1N1CC2CCC(C1)O2.
What is the InChIKey of [5-fluoro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methanol?
The InChIKey is BQVSTLSGTLQWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c14-10-1-4-13(9(5-10)8-16)15-6-11-2-3-12(7-15)17-11/h1,4-5,11-12,16H,2-3,6-8H2.
What are the key properties of [5-fluoro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methanol?
[5-fluoro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methanol has a molecular weight of 237.27 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methanol is sourced from PubChem (CID 66393104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).