2-fluoro-4,6-dimethyldibenzothiophene

C14H11FS — CID 62707144

IUPAC2-fluoro-4,6-dimethyldibenzothiophene
SMILESCc1cccc2c1sc1c(C)cc(F)cc12
InChIInChI=1S/C14H11FS/c1-8-4-3-5-11-12-7-10(15)6-9(2)14(12)16-13(8)11/h3-7H,1-2H3
InChIKeyYAUHZXQNCZMJRO-UHFFFAOYSA-N
MW230.31 g/mol
LogP4.81
Rot. Bonds

About 2-fluoro-4,6-dimethyldibenzothiophene

2-fluoro-4,6-dimethyldibenzothiophene (PubChem CID 62707144) has the molecular formula C14H11FS and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-fluoro-4,6-dimethyldibenzothiophene.

Molecular Properties

Compound Name2-fluoro-4,6-dimethyldibenzothiophene
PubChem CID62707144
Molecular FormulaC14H11FS
Molecular Weight230.31 g/mol
Exact Mass230.06
IUPAC Name2-fluoro-4,6-dimethyldibenzothiophene
SMILESCc1cccc2c1sc1c(C)cc(F)cc12
InChIInChI=1S/C14H11FS/c1-8-4-3-5-11-12-7-10(15)6-9(2)14(12)16-13(8)11/h3-7H,1-2H3
InChIKeyYAUHZXQNCZMJRO-UHFFFAOYSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4,6-dimethyldibenzothiophene?
The IUPAC name of 2-fluoro-4,6-dimethyldibenzothiophene (CID 62707144) is 2-fluoro-4,6-dimethyldibenzothiophene.
What is the SMILES notation for 2-fluoro-4,6-dimethyldibenzothiophene?
The canonical SMILES for 2-fluoro-4,6-dimethyldibenzothiophene is Cc1cccc2c1sc1c(C)cc(F)cc12.
What is the InChIKey of 2-fluoro-4,6-dimethyldibenzothiophene?
The InChIKey is YAUHZXQNCZMJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FS/c1-8-4-3-5-11-12-7-10(15)6-9(2)14(12)16-13(8)11/h3-7H,1-2H3.
What are the key properties of 2-fluoro-4,6-dimethyldibenzothiophene?
2-fluoro-4,6-dimethyldibenzothiophene has a molecular weight of 230.31 g/mol, XLogP of 4.81, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4,6-dimethyldibenzothiophene is sourced from PubChem (CID 62707144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).