3-fluoro-4,6-dimethyl-1-benzothiophene

C10H9FS — CID 130956380

IUPAC3-fluoro-4,6-dimethyl-1-benzothiophene
SMILESCc1cc(C)c2c(F)csc2c1
InChIInChI=1S/C10H9FS/c1-6-3-7(2)10-8(11)5-12-9(10)4-6/h3-5H,1-2H3
InChIKeyKVAQOAVPRZPIBO-UHFFFAOYSA-N
MW180.25 g/mol
LogP3.66
Rot. Bonds

About 3-fluoro-4,6-dimethyl-1-benzothiophene

3-fluoro-4,6-dimethyl-1-benzothiophene (PubChem CID 130956380) has the molecular formula C10H9FS and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-fluoro-4,6-dimethyl-1-benzothiophene.

Molecular Properties

Compound Name3-fluoro-4,6-dimethyl-1-benzothiophene
PubChem CID130956380
Molecular FormulaC10H9FS
Molecular Weight180.25 g/mol
Exact Mass180.04
IUPAC Name3-fluoro-4,6-dimethyl-1-benzothiophene
SMILESCc1cc(C)c2c(F)csc2c1
InChIInChI=1S/C10H9FS/c1-6-3-7(2)10-8(11)5-12-9(10)4-6/h3-5H,1-2H3
InChIKeyKVAQOAVPRZPIBO-UHFFFAOYSA-N
XLogP3.66
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 ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,4,6-trimethyl-1-benzothiophene
CID 20824554
3-(difluoromethyl)-4-fluoro-6-methyl-1-benzothiophene
CID 130805378
6-(chloromethyl)-4-fluoro-3-methyl-1-benzothiophene
CID 130955998
ethane;4-fluoro-3-methyl-1-benzothiophene
CID 176569094
3-fluoro-6-methoxy-1-benzothiophene-4-thiol
CID 131122789
3-fluoro-4-methyl-1-benzothiophen-5-amine
CID 131075761
4-bromo-3-chloro-6-methyl-1-benzothiophene
CID 91756717
6-fluoro-3,5-dimethyl-1-benzothiophene
CID 89233564
5-fluoro-3-methylthieno[3,2-b]thiophene
CID 129149047
3,6-diiodo-4-methyl-1-benzothiophene
CID 130805281
4-iodo-3-methoxy-6-methyl-1-benzothiophene
CID 130941722
4-bromo-3-(bromomethyl)-6-methyl-1-benzothiophene
CID 130865317

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4,6-dimethyl-1-benzothiophene?
The IUPAC name of 3-fluoro-4,6-dimethyl-1-benzothiophene (CID 130956380) is 3-fluoro-4,6-dimethyl-1-benzothiophene.
What is the SMILES notation for 3-fluoro-4,6-dimethyl-1-benzothiophene?
The canonical SMILES for 3-fluoro-4,6-dimethyl-1-benzothiophene is Cc1cc(C)c2c(F)csc2c1.
What is the InChIKey of 3-fluoro-4,6-dimethyl-1-benzothiophene?
The InChIKey is KVAQOAVPRZPIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FS/c1-6-3-7(2)10-8(11)5-12-9(10)4-6/h3-5H,1-2H3.
What are the key properties of 3-fluoro-4,6-dimethyl-1-benzothiophene?
3-fluoro-4,6-dimethyl-1-benzothiophene has a molecular weight of 180.25 g/mol, XLogP of 3.66, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4,6-dimethyl-1-benzothiophene is sourced from PubChem (CID 130956380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).