2,6,7-trifluoro-3-(methoxymethyl)-1-benzothiophene

C10H7F3OS — CID 67275676

IUPAC2,6,7-trifluoro-3-(methoxymethyl)-1-benzothiophene
SMILESCOCc1c(F)sc2c(F)c(F)ccc12
InChIInChI=1S/C10H7F3OS/c1-14-4-6-5-2-3-7(11)8(12)9(5)15-10(6)13/h2-3H,4H2,1H3
InChIKeyFIKLRMBDLUSAFK-UHFFFAOYSA-N
MW232.23 g/mol
LogP3.46
Rot. Bonds2

About 2,6,7-trifluoro-3-(methoxymethyl)-1-benzothiophene

2,6,7-trifluoro-3-(methoxymethyl)-1-benzothiophene (PubChem CID 67275676) has the molecular formula C10H7F3OS and a molecular weight of 232.23 g/mol. Its IUPAC name is 2,6,7-trifluoro-3-(methoxymethyl)-1-benzothiophene.

Molecular Properties

Compound Name2,6,7-trifluoro-3-(methoxymethyl)-1-benzothiophene
PubChem CID67275676
Molecular FormulaC10H7F3OS
Molecular Weight232.23 g/mol
Exact Mass232.02
IUPAC Name2,6,7-trifluoro-3-(methoxymethyl)-1-benzothiophene
SMILESCOCc1c(F)sc2c(F)c(F)ccc12
InChIInChI=1S/C10H7F3OS/c1-14-4-6-5-2-3-7(11)8(12)9(5)15-10(6)13/h2-3H,4H2,1H3
InChIKeyFIKLRMBDLUSAFK-UHFFFAOYSA-N
XLogP3.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6,7-trifluoro-3-(methoxymethyl)-1-benzothiophene?
The IUPAC name of 2,6,7-trifluoro-3-(methoxymethyl)-1-benzothiophene (CID 67275676) is 2,6,7-trifluoro-3-(methoxymethyl)-1-benzothiophene.
What is the SMILES notation for 2,6,7-trifluoro-3-(methoxymethyl)-1-benzothiophene?
The canonical SMILES for 2,6,7-trifluoro-3-(methoxymethyl)-1-benzothiophene is COCc1c(F)sc2c(F)c(F)ccc12.
What is the InChIKey of 2,6,7-trifluoro-3-(methoxymethyl)-1-benzothiophene?
The InChIKey is FIKLRMBDLUSAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3OS/c1-14-4-6-5-2-3-7(11)8(12)9(5)15-10(6)13/h2-3H,4H2,1H3.
What are the key properties of 2,6,7-trifluoro-3-(methoxymethyl)-1-benzothiophene?
2,6,7-trifluoro-3-(methoxymethyl)-1-benzothiophene has a molecular weight of 232.23 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,7-trifluoro-3-(methoxymethyl)-1-benzothiophene is sourced from PubChem (CID 67275676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).