6-(difluoromethyl)-2-fluoro-7-methyl-1-benzothiophene

C10H7F3S — CID 130805528

IUPAC6-(difluoromethyl)-2-fluoro-7-methyl-1-benzothiophene
SMILESCc1c(C(F)F)ccc2cc(F)sc12
InChIInChI=1S/C10H7F3S/c1-5-7(10(12)13)3-2-6-4-8(11)14-9(5)6/h2-4,10H,1H3
InChIKeyQHTYORPYMMRTDG-UHFFFAOYSA-N
MW216.23 g/mol
LogP4.29
Rot. Bonds1

About 6-(difluoromethyl)-2-fluoro-7-methyl-1-benzothiophene

6-(difluoromethyl)-2-fluoro-7-methyl-1-benzothiophene (PubChem CID 130805528) has the molecular formula C10H7F3S and a molecular weight of 216.23 g/mol. Its IUPAC name is 6-(difluoromethyl)-2-fluoro-7-methyl-1-benzothiophene.

Molecular Properties

Compound Name6-(difluoromethyl)-2-fluoro-7-methyl-1-benzothiophene
PubChem CID130805528
Molecular FormulaC10H7F3S
Molecular Weight216.23 g/mol
Exact Mass216.02
IUPAC Name6-(difluoromethyl)-2-fluoro-7-methyl-1-benzothiophene
SMILESCc1c(C(F)F)ccc2cc(F)sc12
InChIInChI=1S/C10H7F3S/c1-5-7(10(12)13)3-2-6-4-8(11)14-9(5)6/h2-4,10H,1H3
InChIKeyQHTYORPYMMRTDG-UHFFFAOYSA-N
XLogP4.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-ethyl-2-fluoro-7-methyl-1-benzothiophene
CID 130985732
7-(difluoromethyl)-2-fluoro-1-benzothiophene-5-thiol
CID 131191618
7-(difluoromethyl)-2-fluoro-1-benzothiophen-6-amine
CID 131215588
5-(difluoromethyl)-6,7-dimethyl-1-benzothiophene
CID 130971820
2-(difluoromethyl)-1-methylnaphthalene;ethane
CID 142518689
3-chloro-1-(difluoromethyl)-4-fluoro-2-methylbenzene
CID 130776741
4-(difluoromethyl)-2,3-dimethylphenol
CID 131214195
7-bromo-2-fluoro-1-benzothiophen-6-ol
CID 130854965
7-(difluoromethyl)-4-methyl-1-benzothiophene-2-thiol
CID 131034069
5-(difluoromethyl)-2-methyl-1-benzothiophene-4-thiol
CID 130792314
5-fluoro-3-methylthieno[3,2-b]thiophene
CID 129149047
2,5,7-trifluoro-1-benzothiophene
CID 130786065

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-2-fluoro-7-methyl-1-benzothiophene?
The IUPAC name of 6-(difluoromethyl)-2-fluoro-7-methyl-1-benzothiophene (CID 130805528) is 6-(difluoromethyl)-2-fluoro-7-methyl-1-benzothiophene.
What is the SMILES notation for 6-(difluoromethyl)-2-fluoro-7-methyl-1-benzothiophene?
The canonical SMILES for 6-(difluoromethyl)-2-fluoro-7-methyl-1-benzothiophene is Cc1c(C(F)F)ccc2cc(F)sc12.
What is the InChIKey of 6-(difluoromethyl)-2-fluoro-7-methyl-1-benzothiophene?
The InChIKey is QHTYORPYMMRTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3S/c1-5-7(10(12)13)3-2-6-4-8(11)14-9(5)6/h2-4,10H,1H3.
What are the key properties of 6-(difluoromethyl)-2-fluoro-7-methyl-1-benzothiophene?
6-(difluoromethyl)-2-fluoro-7-methyl-1-benzothiophene has a molecular weight of 216.23 g/mol, XLogP of 4.29, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-2-fluoro-7-methyl-1-benzothiophene is sourced from PubChem (CID 130805528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).