13-fluoro-5-thiatricyclo[8.4.0.02,6]tetradeca-1,3,6,8,10,13-hexaene

C13H9FS — CID 91527849

IUPAC13-fluoro-5-thiatricyclo[8.4.0.02,6]tetradeca-1,3,6,8,10,13-hexaene
SMILESFC1=CC2=c3ccsc3=CC=CC2=CC1
InChIInChI=1S/C13H9FS/c14-10-5-4-9-2-1-3-13-11(6-7-15-13)12(9)8-10/h1-4,6-8H,5H2
InChIKeyDHOSMKARCJZPTN-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.43
Rot. Bonds

About 13-fluoro-5-thiatricyclo[8.4.0.02,6]tetradeca-1,3,6,8,10,13-hexaene

13-fluoro-5-thiatricyclo[8.4.0.02,6]tetradeca-1,3,6,8,10,13-hexaene (PubChem CID 91527849) has the molecular formula C13H9FS and a molecular weight of 216.28 g/mol. Its IUPAC name is 13-fluoro-5-thiatricyclo[8.4.0.02,6]tetradeca-1,3,6,8,10,13-hexaene.

Molecular Properties

Compound Name13-fluoro-5-thiatricyclo[8.4.0.02,6]tetradeca-1,3,6,8,10,13-hexaene
PubChem CID91527849
Molecular FormulaC13H9FS
Molecular Weight216.28 g/mol
Exact Mass216.04
IUPAC Name13-fluoro-5-thiatricyclo[8.4.0.02,6]tetradeca-1,3,6,8,10,13-hexaene
SMILESFC1=CC2=c3ccsc3=CC=CC2=CC1
InChIInChI=1S/C13H9FS/c14-10-5-4-9-2-1-3-13-11(6-7-15-13)12(9)8-10/h1-4,6-8H,5H2
InChIKeyDHOSMKARCJZPTN-UHFFFAOYSA-N
XLogP2.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 13-fluoro-5-thiatricyclo[8.4.0.02,6]tetradeca-1,3,6,8,10,13-hexaene with MolForge

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Related Compounds

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CID 18539628
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Cyclohexa[b]thiopyran
CID 57195514
Benzocycloheptathiophene
CID 87987742
Cyclohepta[c]thiophene
CID 129673588
6-fluoro-3-methyl-5-methylidene-6H-1-benzothiophene
CID 89233565
10-Fluoro-4,7-dimethyl-5lambda6-thiaspiro[4.5]deca-1(5),3,5(10),6,8-pentaene
CID 90896513
5-Fluoro-6-methyl-3a,4-dihydro-1-benzothiophene
CID 123954887
3-Fluoro-4-(propylsulfanylmethyl)cyclohepta-1,3,5-triene
CID 139457690
6-fluoro-3-methyl-7H-cyclohepta[b]thiophene
CID 142164216
3-methyl-7-(trifluoromethyl)-3aH-cyclohepta[b]thiophene
CID 142164542

Frequently Asked Questions

What is the IUPAC name of 13-fluoro-5-thiatricyclo[8.4.0.02,6]tetradeca-1,3,6,8,10,13-hexaene?
The IUPAC name of 13-fluoro-5-thiatricyclo[8.4.0.02,6]tetradeca-1,3,6,8,10,13-hexaene (CID 91527849) is 13-fluoro-5-thiatricyclo[8.4.0.02,6]tetradeca-1,3,6,8,10,13-hexaene.
What is the SMILES notation for 13-fluoro-5-thiatricyclo[8.4.0.02,6]tetradeca-1,3,6,8,10,13-hexaene?
The canonical SMILES for 13-fluoro-5-thiatricyclo[8.4.0.02,6]tetradeca-1,3,6,8,10,13-hexaene is FC1=CC2=c3ccsc3=CC=CC2=CC1.
What is the InChIKey of 13-fluoro-5-thiatricyclo[8.4.0.02,6]tetradeca-1,3,6,8,10,13-hexaene?
The InChIKey is DHOSMKARCJZPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FS/c14-10-5-4-9-2-1-3-13-11(6-7-15-13)12(9)8-10/h1-4,6-8H,5H2.
What are the key properties of 13-fluoro-5-thiatricyclo[8.4.0.02,6]tetradeca-1,3,6,8,10,13-hexaene?
13-fluoro-5-thiatricyclo[8.4.0.02,6]tetradeca-1,3,6,8,10,13-hexaene has a molecular weight of 216.28 g/mol, XLogP of 2.43, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 13-fluoro-5-thiatricyclo[8.4.0.02,6]tetradeca-1,3,6,8,10,13-hexaene is sourced from PubChem (CID 91527849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).