3-(2,2,2-trifluoroethoxy)-1-benzothiophene

C10H7F3OS — CID 11345282

IUPAC3-(2,2,2-trifluoroethoxy)-1-benzothiophene
SMILESFC(F)(F)COc1csc2ccccc12
InChIInChI=1S/C10H7F3OS/c11-10(12,13)6-14-8-5-15-9-4-2-1-3-7(8)9/h1-5H,6H2
InChIKeyUVNWOFZZKBOKMK-UHFFFAOYSA-N
MW232.23 g/mol
LogP3.84
Rot. Bonds2

About 3-(2,2,2-trifluoroethoxy)-1-benzothiophene

3-(2,2,2-trifluoroethoxy)-1-benzothiophene (PubChem CID 11345282) has the molecular formula C10H7F3OS and a molecular weight of 232.23 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroethoxy)-1-benzothiophene.

Molecular Properties

Compound Name3-(2,2,2-trifluoroethoxy)-1-benzothiophene
PubChem CID11345282
Molecular FormulaC10H7F3OS
Molecular Weight232.23 g/mol
Exact Mass232.02
IUPAC Name3-(2,2,2-trifluoroethoxy)-1-benzothiophene
SMILESFC(F)(F)COc1csc2ccccc12
InChIInChI=1S/C10H7F3OS/c11-10(12,13)6-14-8-5-15-9-4-2-1-3-7(8)9/h1-5H,6H2
InChIKeyUVNWOFZZKBOKMK-UHFFFAOYSA-N
XLogP3.84
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 ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-Ethoxy-1-benzothiophene-3-ol
CID 230983
3-(4-Methoxyphenyl)-1-benzothiophene
CID 3358921
5-Methoxy-1-benzothiophene
CID 3632425
4-Methoxy-benzo(b)thiophene
CID 12623869
2-[4-(Octyloxy)phenyl]thiophene
CID 18448197
1-Benzothiophen-6-yl ethyl ether
CID 268617
3-(4-Methoxyphenoxy)benzo[b]thiophene
CID 10824975
3-Phenoxy-2-phenyl-1-benzothiophene
CID 11150817
Benzo[b]thiophene, 3-methoxy-
CID 11240674
3-(4-Fluorophenoxy)-1-benzothiophene
CID 11817399
3-Methoxy-2-phenyl-1-benzothiophene
CID 12100171
3-Phenoxy-1-benzothiophene
CID 12190826

Frequently Asked Questions

What is the IUPAC name of 3-(2,2,2-trifluoroethoxy)-1-benzothiophene?
The IUPAC name of 3-(2,2,2-trifluoroethoxy)-1-benzothiophene (CID 11345282) is 3-(2,2,2-trifluoroethoxy)-1-benzothiophene.
What is the SMILES notation for 3-(2,2,2-trifluoroethoxy)-1-benzothiophene?
The canonical SMILES for 3-(2,2,2-trifluoroethoxy)-1-benzothiophene is FC(F)(F)COc1csc2ccccc12.
What is the InChIKey of 3-(2,2,2-trifluoroethoxy)-1-benzothiophene?
The InChIKey is UVNWOFZZKBOKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3OS/c11-10(12,13)6-14-8-5-15-9-4-2-1-3-7(8)9/h1-5H,6H2.
What are the key properties of 3-(2,2,2-trifluoroethoxy)-1-benzothiophene?
3-(2,2,2-trifluoroethoxy)-1-benzothiophene has a molecular weight of 232.23 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,2-trifluoroethoxy)-1-benzothiophene is sourced from PubChem (CID 11345282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).