1-(10-fluoro-2-oxabicyclo[5.5.0]dodeca-1(12),7,10-trien-3-yl)ethane-1,2-diol

C13H17FO3 — CID 163983042

IUPAC1-(10-fluoro-2-oxabicyclo[5.5.0]dodeca-1(12),7,10-trien-3-yl)ethane-1,2-diol
SMILESOCC(O)C1CCCC2=CCC(F)=CC=C2O1
InChIInChI=1S/C13H17FO3/c14-10-5-4-9-2-1-3-13(11(16)8-15)17-12(9)7-6-10/h4,6-7,11,13,15-16H,1-3,5,8H2
InChIKeyTTWUTNRPGAAUGK-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.98
Rot. Bonds2

About 1-(10-fluoro-2-oxabicyclo[5.5.0]dodeca-1(12),7,10-trien-3-yl)ethane-1,2-diol

1-(10-fluoro-2-oxabicyclo[5.5.0]dodeca-1(12),7,10-trien-3-yl)ethane-1,2-diol (PubChem CID 163983042) has the molecular formula C13H17FO3 and a molecular weight of 240.27 g/mol. Its IUPAC name is 1-(10-fluoro-2-oxabicyclo[5.5.0]dodeca-1(12),7,10-trien-3-yl)ethane-1,2-diol.

Molecular Properties

Compound Name1-(10-fluoro-2-oxabicyclo[5.5.0]dodeca-1(12),7,10-trien-3-yl)ethane-1,2-diol
PubChem CID163983042
Molecular FormulaC13H17FO3
Molecular Weight240.27 g/mol
Exact Mass240.12
IUPAC Name1-(10-fluoro-2-oxabicyclo[5.5.0]dodeca-1(12),7,10-trien-3-yl)ethane-1,2-diol
SMILESOCC(O)C1CCCC2=CCC(F)=CC=C2O1
InChIInChI=1S/C13H17FO3/c14-10-5-4-9-2-1-3-13(11(16)8-15)17-12(9)7-6-10/h4,6-7,11,13,15-16H,1-3,5,8H2
InChIKeyTTWUTNRPGAAUGK-UHFFFAOYSA-N
XLogP1.98
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(10-fluoro-2-oxabicyclo[5.5.0]dodeca-1(12),7,10-trien-3-yl)ethane-1,2-diol with MolForge

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Related Compounds

1-(6-fluoro-3,4,5,6-tetrahydro-2H-chromen-2-yl)ethanol
CID 124005720
1-[(6E)-6-[(E)-3-fluorobut-2-enylidene]-5-methylideneoxan-2-yl]ethane-1,2-diol
CID 134377908

Frequently Asked Questions

What is the IUPAC name of 1-(10-fluoro-2-oxabicyclo[5.5.0]dodeca-1(12),7,10-trien-3-yl)ethane-1,2-diol?
The IUPAC name of 1-(10-fluoro-2-oxabicyclo[5.5.0]dodeca-1(12),7,10-trien-3-yl)ethane-1,2-diol (CID 163983042) is 1-(10-fluoro-2-oxabicyclo[5.5.0]dodeca-1(12),7,10-trien-3-yl)ethane-1,2-diol.
What is the SMILES notation for 1-(10-fluoro-2-oxabicyclo[5.5.0]dodeca-1(12),7,10-trien-3-yl)ethane-1,2-diol?
The canonical SMILES for 1-(10-fluoro-2-oxabicyclo[5.5.0]dodeca-1(12),7,10-trien-3-yl)ethane-1,2-diol is OCC(O)C1CCCC2=CCC(F)=CC=C2O1.
What is the InChIKey of 1-(10-fluoro-2-oxabicyclo[5.5.0]dodeca-1(12),7,10-trien-3-yl)ethane-1,2-diol?
The InChIKey is TTWUTNRPGAAUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO3/c14-10-5-4-9-2-1-3-13(11(16)8-15)17-12(9)7-6-10/h4,6-7,11,13,15-16H,1-3,5,8H2.
What are the key properties of 1-(10-fluoro-2-oxabicyclo[5.5.0]dodeca-1(12),7,10-trien-3-yl)ethane-1,2-diol?
1-(10-fluoro-2-oxabicyclo[5.5.0]dodeca-1(12),7,10-trien-3-yl)ethane-1,2-diol has a molecular weight of 240.27 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(10-fluoro-2-oxabicyclo[5.5.0]dodeca-1(12),7,10-trien-3-yl)ethane-1,2-diol is sourced from PubChem (CID 163983042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).