14-fluoro-4-oxa-15-thiabicyclo[10.3.0]pentadeca-1(12),13-diene

C13H19FOS — CID 123138635

IUPAC14-fluoro-4-oxa-15-thiabicyclo[10.3.0]pentadeca-1(12),13-diene
SMILESFc1cc2c(s1)CCOCCCCCCC2
InChIInChI=1S/C13H19FOS/c14-13-10-11-6-4-2-1-3-5-8-15-9-7-12(11)16-13/h10H,1-9H2
InChIKeyHPQJAFXAFHDFMF-UHFFFAOYSA-N
MW242.36 g/mol
LogP3.95
Rot. Bonds

About 14-fluoro-4-oxa-15-thiabicyclo[10.3.0]pentadeca-1(12),13-diene

14-fluoro-4-oxa-15-thiabicyclo[10.3.0]pentadeca-1(12),13-diene (PubChem CID 123138635) has the molecular formula C13H19FOS and a molecular weight of 242.36 g/mol. Its IUPAC name is 14-fluoro-4-oxa-15-thiabicyclo[10.3.0]pentadeca-1(12),13-diene.

Molecular Properties

Compound Name14-fluoro-4-oxa-15-thiabicyclo[10.3.0]pentadeca-1(12),13-diene
PubChem CID123138635
Molecular FormulaC13H19FOS
Molecular Weight242.36 g/mol
Exact Mass242.11
IUPAC Name14-fluoro-4-oxa-15-thiabicyclo[10.3.0]pentadeca-1(12),13-diene
SMILESFc1cc2c(s1)CCOCCCCCCC2
InChIInChI=1S/C13H19FOS/c14-13-10-11-6-4-2-1-3-5-8-15-9-7-12(11)16-13/h10H,1-9H2
InChIKeyHPQJAFXAFHDFMF-UHFFFAOYSA-N
XLogP3.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 14-fluoro-4-oxa-15-thiabicyclo[10.3.0]pentadeca-1(12),13-diene?
The IUPAC name of 14-fluoro-4-oxa-15-thiabicyclo[10.3.0]pentadeca-1(12),13-diene (CID 123138635) is 14-fluoro-4-oxa-15-thiabicyclo[10.3.0]pentadeca-1(12),13-diene.
What is the SMILES notation for 14-fluoro-4-oxa-15-thiabicyclo[10.3.0]pentadeca-1(12),13-diene?
The canonical SMILES for 14-fluoro-4-oxa-15-thiabicyclo[10.3.0]pentadeca-1(12),13-diene is Fc1cc2c(s1)CCOCCCCCCC2.
What is the InChIKey of 14-fluoro-4-oxa-15-thiabicyclo[10.3.0]pentadeca-1(12),13-diene?
The InChIKey is HPQJAFXAFHDFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FOS/c14-13-10-11-6-4-2-1-3-5-8-15-9-7-12(11)16-13/h10H,1-9H2.
What are the key properties of 14-fluoro-4-oxa-15-thiabicyclo[10.3.0]pentadeca-1(12),13-diene?
14-fluoro-4-oxa-15-thiabicyclo[10.3.0]pentadeca-1(12),13-diene has a molecular weight of 242.36 g/mol, XLogP of 3.95, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14-fluoro-4-oxa-15-thiabicyclo[10.3.0]pentadeca-1(12),13-diene is sourced from PubChem (CID 123138635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).