1-fluoro-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-2-ol

C9H16FNO2 — CID 127008570

IUPAC1-fluoro-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-2-ol
SMILESOC(CF)CN1CC2CCC(C1)O2
InChIInChI=1S/C9H16FNO2/c10-3-7(12)4-11-5-8-1-2-9(6-11)13-8/h7-9,12H,1-6H2
InChIKeyQLTTZODJQZVNBL-UHFFFAOYSA-N
MW189.23 g/mol
LogP0.18
Rot. Bonds3

About 1-fluoro-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-2-ol

1-fluoro-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-2-ol (PubChem CID 127008570) has the molecular formula C9H16FNO2 and a molecular weight of 189.23 g/mol. Its IUPAC name is 1-fluoro-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-2-ol.

Molecular Properties

Compound Name1-fluoro-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-2-ol
PubChem CID127008570
Molecular FormulaC9H16FNO2
Molecular Weight189.23 g/mol
Exact Mass189.12
IUPAC Name1-fluoro-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-2-ol
SMILESOC(CF)CN1CC2CCC(C1)O2
InChIInChI=1S/C9H16FNO2/c10-3-7(12)4-11-5-8-1-2-9(6-11)13-8/h7-9,12H,1-6H2
InChIKeyQLTTZODJQZVNBL-UHFFFAOYSA-N
XLogP0.18
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-fluoro-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-2-ol with MolForge

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Related Compounds

8-Oxa-6-azabicyclo(3.2.1)octane, 6-(2-hydroxyethyl)-
CID 97171
8-Oxa-6-azabicyclo(3.2.1)octane, 6-(3-(bis(2-hydroxyethyl)amino)propyl)-
CID 3056548
2-{8-Oxa-3-azabicyclo[3.2.1]octan-3-yl}ethan-1-ol hydrochloride
CID 137964486
2-{8-Oxa-3-azabicyclo[3.2.1]octan-3-yl}ethan-1-ol
CID 66370951
1,1,1-Trifluoro-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-2-ol
CID 66371927
3,3-Difluoro-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-ol;hydrochloride
CID 129320107
3,3-Difluoro-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-ol
CID 129320108
3-(2-Fluoroethyl)-8-oxa-3-azabicyclo[3.2.1]octane
CID 130634591
3-(2,2-Difluoroethyl)-8-oxa-3-azabicyclo[3.2.1]octane
CID 130674347
1-Fluoro-3-{3-oxa-8-azabicyclo[3.2.1]octan-8-yl}propan-2-ol
CID 165590936
3-Hexyl-8-oxa-3-azabicyclo[3.2.1]octane
CID 17965845
3-(8-Oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-ol
CID 57473477

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-2-ol?
The IUPAC name of 1-fluoro-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-2-ol (CID 127008570) is 1-fluoro-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-2-ol.
What is the SMILES notation for 1-fluoro-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-2-ol?
The canonical SMILES for 1-fluoro-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-2-ol is OC(CF)CN1CC2CCC(C1)O2.
What is the InChIKey of 1-fluoro-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-2-ol?
The InChIKey is QLTTZODJQZVNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO2/c10-3-7(12)4-11-5-8-1-2-9(6-11)13-8/h7-9,12H,1-6H2.
What are the key properties of 1-fluoro-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-2-ol?
1-fluoro-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-2-ol has a molecular weight of 189.23 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-2-ol is sourced from PubChem (CID 127008570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).