2,5,7-trifluoro-1-benzothiophene

C8H3F3S — CID 130786065

IUPAC2,5,7-trifluoro-1-benzothiophene
SMILESFc1cc(F)c2sc(F)cc2c1
InChIInChI=1S/C8H3F3S/c9-5-1-4-2-7(11)12-8(4)6(10)3-5/h1-3H
InChIKeyDPEHUOBTUZSDES-UHFFFAOYSA-N
MW188.17 g/mol
LogP3.32
Rot. Bonds

About 2,5,7-trifluoro-1-benzothiophene

2,5,7-trifluoro-1-benzothiophene (PubChem CID 130786065) has the molecular formula C8H3F3S and a molecular weight of 188.17 g/mol. Its IUPAC name is 2,5,7-trifluoro-1-benzothiophene.

Molecular Properties

Compound Name2,5,7-trifluoro-1-benzothiophene
PubChem CID130786065
Molecular FormulaC8H3F3S
Molecular Weight188.17 g/mol
Exact Mass187.99
IUPAC Name2,5,7-trifluoro-1-benzothiophene
SMILESFc1cc(F)c2sc(F)cc2c1
InChIInChI=1S/C8H3F3S/c9-5-1-4-2-7(11)12-8(4)6(10)3-5/h1-3H
InChIKeyDPEHUOBTUZSDES-UHFFFAOYSA-N
XLogP3.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.17
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-chloro-2,4-difluorodibenzothiophene
CID 156704591
2-fluoro-7-iodo-5-methylsulfanyl-1-benzothiophene
CID 130913448
7-(difluoromethyl)-2-fluoro-1-benzothiophene-5-thiol
CID 131191618
2-chloro-4,6-difluoro-1,3-benzothiazole
CID 2049883
(7-amino-2-fluoro-1-benzothiophen-5-yl)methanol
CID 130788720
7-bromo-2-fluoro-1-benzothiophen-6-ol
CID 130854965
2-bromo-7-fluoro-1-benzothiophene-5-carboxylic acid
CID 130883187
5-amino-2-fluoro-1-benzothiophene-7-carboxylic acid
CID 130816675
2,4,6-trifluorobenzenethiol;tetrahydrofluoride
CID 173125466
2,4,6-trifluorobenzenethiol;pentahydrofluoride
CID 173024841
5-bromo-2-fluoro-1-benzothiophene
CID 70982915
2-(bromomethyl)-5-ethyl-7-fluoro-1-benzothiophene
CID 130985210

Frequently Asked Questions

What is the IUPAC name of 2,5,7-trifluoro-1-benzothiophene?
The IUPAC name of 2,5,7-trifluoro-1-benzothiophene (CID 130786065) is 2,5,7-trifluoro-1-benzothiophene.
What is the SMILES notation for 2,5,7-trifluoro-1-benzothiophene?
The canonical SMILES for 2,5,7-trifluoro-1-benzothiophene is Fc1cc(F)c2sc(F)cc2c1.
What is the InChIKey of 2,5,7-trifluoro-1-benzothiophene?
The InChIKey is DPEHUOBTUZSDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F3S/c9-5-1-4-2-7(11)12-8(4)6(10)3-5/h1-3H.
What are the key properties of 2,5,7-trifluoro-1-benzothiophene?
2,5,7-trifluoro-1-benzothiophene has a molecular weight of 188.17 g/mol, XLogP of 3.32, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,7-trifluoro-1-benzothiophene is sourced from PubChem (CID 130786065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).