13-fluoro-4-oxa-14-thiabicyclo[9.3.0]tetradeca-1(11),12-diene

C12H17FOS — CID 123589593

IUPAC13-fluoro-4-oxa-14-thiabicyclo[9.3.0]tetradeca-1(11),12-diene
SMILESFc1cc2c(s1)CCOCCCCCC2
InChIInChI=1S/C12H17FOS/c13-12-9-10-5-3-1-2-4-7-14-8-6-11(10)15-12/h9H,1-8H2
InChIKeyQPUPHFAUCKBAGM-UHFFFAOYSA-N
MW228.33 g/mol
LogP3.56
Rot. Bonds

About 13-fluoro-4-oxa-14-thiabicyclo[9.3.0]tetradeca-1(11),12-diene

13-fluoro-4-oxa-14-thiabicyclo[9.3.0]tetradeca-1(11),12-diene (PubChem CID 123589593) has the molecular formula C12H17FOS and a molecular weight of 228.33 g/mol. Its IUPAC name is 13-fluoro-4-oxa-14-thiabicyclo[9.3.0]tetradeca-1(11),12-diene.

Molecular Properties

Compound Name13-fluoro-4-oxa-14-thiabicyclo[9.3.0]tetradeca-1(11),12-diene
PubChem CID123589593
Molecular FormulaC12H17FOS
Molecular Weight228.33 g/mol
Exact Mass228.10
IUPAC Name13-fluoro-4-oxa-14-thiabicyclo[9.3.0]tetradeca-1(11),12-diene
SMILESFc1cc2c(s1)CCOCCCCCC2
InChIInChI=1S/C12H17FOS/c13-12-9-10-5-3-1-2-4-7-14-8-6-11(10)15-12/h9H,1-8H2
InChIKeyQPUPHFAUCKBAGM-UHFFFAOYSA-N
XLogP3.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 13-fluoro-4-oxa-14-thiabicyclo[9.3.0]tetradeca-1(11),12-diene?
The IUPAC name of 13-fluoro-4-oxa-14-thiabicyclo[9.3.0]tetradeca-1(11),12-diene (CID 123589593) is 13-fluoro-4-oxa-14-thiabicyclo[9.3.0]tetradeca-1(11),12-diene.
What is the SMILES notation for 13-fluoro-4-oxa-14-thiabicyclo[9.3.0]tetradeca-1(11),12-diene?
The canonical SMILES for 13-fluoro-4-oxa-14-thiabicyclo[9.3.0]tetradeca-1(11),12-diene is Fc1cc2c(s1)CCOCCCCCC2.
What is the InChIKey of 13-fluoro-4-oxa-14-thiabicyclo[9.3.0]tetradeca-1(11),12-diene?
The InChIKey is QPUPHFAUCKBAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FOS/c13-12-9-10-5-3-1-2-4-7-14-8-6-11(10)15-12/h9H,1-8H2.
What are the key properties of 13-fluoro-4-oxa-14-thiabicyclo[9.3.0]tetradeca-1(11),12-diene?
13-fluoro-4-oxa-14-thiabicyclo[9.3.0]tetradeca-1(11),12-diene has a molecular weight of 228.33 g/mol, XLogP of 3.56, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 13-fluoro-4-oxa-14-thiabicyclo[9.3.0]tetradeca-1(11),12-diene is sourced from PubChem (CID 123589593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).