6-fluoro-3-methyl-5-methylidene-6H-1-benzothiophene

C10H9FS — CID 89233565

IUPAC6-fluoro-3-methyl-5-methylidene-6H-1-benzothiophene
SMILESC=C1C=c2c(C)csc2=CC1F
InChIInChI=1S/C10H9FS/c1-6-3-8-7(2)5-12-10(8)4-9(6)11/h3-5,9H,1H2,2H3
InChIKeyKKJAOUQOMVUZDH-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.53
Rot. Bonds

About 6-fluoro-3-methyl-5-methylidene-6H-1-benzothiophene

6-fluoro-3-methyl-5-methylidene-6H-1-benzothiophene (PubChem CID 89233565) has the molecular formula C10H9FS and a molecular weight of 180.25 g/mol. Its IUPAC name is 6-fluoro-3-methyl-5-methylidene-6H-1-benzothiophene.

Molecular Properties

Compound Name6-fluoro-3-methyl-5-methylidene-6H-1-benzothiophene
PubChem CID89233565
Molecular FormulaC10H9FS
Molecular Weight180.25 g/mol
Exact Mass180.04
IUPAC Name6-fluoro-3-methyl-5-methylidene-6H-1-benzothiophene
SMILESC=C1C=c2c(C)csc2=CC1F
InChIInChI=1S/C10H9FS/c1-6-3-8-7(2)5-12-10(8)4-9(6)11/h3-5,9H,1H2,2H3
InChIKeyKKJAOUQOMVUZDH-UHFFFAOYSA-N
XLogP1.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-fluoro-3-methyl-5-methylidene-6H-1-benzothiophene 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

7,7a-Dihydrobenzothiophen
CID 21584106
1-Methylsulfanyl-4-(trifluoromethyl)cyclohexa-1,3-diene
CID 20080613
6-butyl-4-(trifluoromethyl)-2H-thiopyran
CID 22712813
6-fluoro-8H-indeno[1,2-b]thiophene
CID 88526497
(6S)-6-(fluoromethyl)-3,6-dimethyl-5H-1-benzothiophene
CID 89233480
10-Fluoro-4,7-dimethyl-5lambda6-thiaspiro[4.5]deca-1(5),3,5(10),6,8-pentaene
CID 90896513
13-Fluoro-5-thiatricyclo[8.4.0.02,6]tetradeca-1,3,6,8,10,13-hexaene
CID 91527849
3,5-dimethyl-2-[4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]-4H-thiopyran
CID 123796387
5-Fluoro-6-methyl-3a,4-dihydro-1-benzothiophene
CID 123954887
6-Fluoro-5-methyl-5-methylsulfanylcyclohexa-1,3-diene
CID 123972244
5-[(Z)-3,3,3-trifluoroprop-1-enyl]-5,6-dihydro-1-benzothiophene
CID 134184955
1,2,2,7-Tetrafluoro-4-methylsulfanylindene
CID 141436618

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-methyl-5-methylidene-6H-1-benzothiophene?
The IUPAC name of 6-fluoro-3-methyl-5-methylidene-6H-1-benzothiophene (CID 89233565) is 6-fluoro-3-methyl-5-methylidene-6H-1-benzothiophene.
What is the SMILES notation for 6-fluoro-3-methyl-5-methylidene-6H-1-benzothiophene?
The canonical SMILES for 6-fluoro-3-methyl-5-methylidene-6H-1-benzothiophene is C=C1C=c2c(C)csc2=CC1F.
What is the InChIKey of 6-fluoro-3-methyl-5-methylidene-6H-1-benzothiophene?
The InChIKey is KKJAOUQOMVUZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FS/c1-6-3-8-7(2)5-12-10(8)4-9(6)11/h3-5,9H,1H2,2H3.
What are the key properties of 6-fluoro-3-methyl-5-methylidene-6H-1-benzothiophene?
6-fluoro-3-methyl-5-methylidene-6H-1-benzothiophene has a molecular weight of 180.25 g/mol, XLogP of 1.53, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-methyl-5-methylidene-6H-1-benzothiophene is sourced from PubChem (CID 89233565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).