4-fluoro-3,7-dimethyldibenzothiophene

C14H11FS — CID 146657158

IUPAC4-fluoro-3,7-dimethyldibenzothiophene
SMILESCc1ccc2c(c1)sc1c(F)c(C)ccc12
InChIInChI=1S/C14H11FS/c1-8-3-5-10-11-6-4-9(2)13(15)14(11)16-12(10)7-8/h3-7H,1-2H3
InChIKeyGIXTYDGXNWNKSS-UHFFFAOYSA-N
MW230.31 g/mol
LogP4.81
Rot. Bonds

About 4-fluoro-3,7-dimethyldibenzothiophene

4-fluoro-3,7-dimethyldibenzothiophene (PubChem CID 146657158) has the molecular formula C14H11FS and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-fluoro-3,7-dimethyldibenzothiophene.

Molecular Properties

Compound Name4-fluoro-3,7-dimethyldibenzothiophene
PubChem CID146657158
Molecular FormulaC14H11FS
Molecular Weight230.31 g/mol
Exact Mass230.06
IUPAC Name4-fluoro-3,7-dimethyldibenzothiophene
SMILESCc1ccc2c(c1)sc1c(F)c(C)ccc12
InChIInChI=1S/C14H11FS/c1-8-3-5-10-11-6-4-9(2)13(15)14(11)16-12(10)7-8/h3-7H,1-2H3
InChIKeyGIXTYDGXNWNKSS-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

Analyze 4-fluoro-3,7-dimethyldibenzothiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,6-difluoro-3,7-dimethyldibenzothiophene;ethane
CID 158727603
2,3-difluoro-6-methyl-1-benzothiophene
CID 129075425
2-chloro-3-fluoro-6-methyl-1-benzothiophene
CID 129075511
9,23-dimethyl-14,26-dithiaheptacyclo[15.11.0.03,15.04,13.07,12.019,27.020,25]octacosa-1(28),2,4(13),5,7(12),8,10,15,17,19(27),20(25),21,23-tridecaene
CID 70935740
7-methyl-N-(2-methylphenyl)dibenzothiophen-4-amine
CID 144687607
7,19-dimethyl-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene
CID 156529970
4,6-difluoro-3-(3-fluoro-4-methylphenyl)-7-methyldibenzothiophene
CID 118458289
4-fluoro-3,7-dimethyl-6-(trifluoromethyl)dibenzothiophene
CID 170023870
3-(2,3-difluoro-4-methylphenoxy)-4,6-difluoro-7-methyldibenzothiophene
CID 118458286
6-methyl-3,11-dithiapentacyclo[10.8.0.02,10.04,9.014,19]icosa-1(20),2(10),4(9),5,7,12,14,16,18-nonaene
CID 118333927
4,7-dimethylthiochromene-2-thione
CID 12630081
7-methyl-2-[2-(4-methylphenyl)ethynyl]-[1]benzothiolo[3,2-b][1]benzothiole
CID 143875532

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3,7-dimethyldibenzothiophene?
The IUPAC name of 4-fluoro-3,7-dimethyldibenzothiophene (CID 146657158) is 4-fluoro-3,7-dimethyldibenzothiophene.
What is the SMILES notation for 4-fluoro-3,7-dimethyldibenzothiophene?
The canonical SMILES for 4-fluoro-3,7-dimethyldibenzothiophene is Cc1ccc2c(c1)sc1c(F)c(C)ccc12.
What is the InChIKey of 4-fluoro-3,7-dimethyldibenzothiophene?
The InChIKey is GIXTYDGXNWNKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FS/c1-8-3-5-10-11-6-4-9(2)13(15)14(11)16-12(10)7-8/h3-7H,1-2H3.
What are the key properties of 4-fluoro-3,7-dimethyldibenzothiophene?
4-fluoro-3,7-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 4-fluoro-3,7-dimethyldibenzothiophene is sourced from PubChem (CID 146657158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).