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

C10H7F3S — CID 116932204

IUPAC3-(2,2,2-trifluoroethyl)-1-benzothiophene
SMILESFC(F)(F)Cc1csc2ccccc12
InChIInChI=1S/C10H7F3S/c11-10(12,13)5-7-6-14-9-4-2-1-3-8(7)9/h1-4,6H,5H2
InChIKeyREERTQJNQXGZDT-UHFFFAOYSA-N
MW216.23 g/mol
LogP4.01
Rot. Bonds1

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

3-(2,2,2-trifluoroethyl)-1-benzothiophene (PubChem CID 116932204) has the molecular formula C10H7F3S and a molecular weight of 216.23 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroethyl)-1-benzothiophene.

Molecular Properties

Compound Name3-(2,2,2-trifluoroethyl)-1-benzothiophene
PubChem CID116932204
Molecular FormulaC10H7F3S
Molecular Weight216.23 g/mol
Exact Mass216.02
IUPAC Name3-(2,2,2-trifluoroethyl)-1-benzothiophene
SMILESFC(F)(F)Cc1csc2ccccc12
InChIInChI=1S/C10H7F3S/c11-10(12,13)5-7-6-14-9-4-2-1-3-8(7)9/h1-4,6H,5H2
InChIKeyREERTQJNQXGZDT-UHFFFAOYSA-N
XLogP4.01
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 ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-amino-1-(1-benzothiophen-3-yl)propan-2-ol
CID 68846114
3-(3-bromo-2,2-dimethylpropyl)-1-benzothiophene
CID 66048185
N-(1-benzothiophen-3-ylmethyl)-2,2,2-trifluoro-N-methylethanamine
CID 115257994
[3-(1-benzothiophen-3-yl)-1,1,1-trifluoropropan-2-yl]hydrazine
CID 105215688
2-(1-benzothiophen-3-ylmethyl)-2-propan-2-ylpropane-1,3-diol
CID 79449938
2-(1-benzothiophen-3-ylmethyl)-2-methylbutan-1-amine
CID 63738676
2-(aminomethyl)-3-(1-benzothiophen-3-yl)-2-methylpropan-1-ol
CID 106506221
1-(1-benzothiophen-3-yl)-2-phenylbutan-2-ol
CID 65146896
3-[2,2-bis(bromomethyl)-4-methylpentyl]-1-benzothiophene
CID 79452695
3-(1-benzothiophen-3-yl)-2,2-dimethyl-1-phenylpropan-1-amine
CID 91011346
N-(1-benzothiophen-3-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine
CID 114158577
1-(1-benzothiophen-3-yl)-2-(3-fluorophenyl)propan-2-ol
CID 65144887

Frequently Asked Questions

What is the IUPAC name of 3-(2,2,2-trifluoroethyl)-1-benzothiophene?
The IUPAC name of 3-(2,2,2-trifluoroethyl)-1-benzothiophene (CID 116932204) is 3-(2,2,2-trifluoroethyl)-1-benzothiophene.
What is the SMILES notation for 3-(2,2,2-trifluoroethyl)-1-benzothiophene?
The canonical SMILES for 3-(2,2,2-trifluoroethyl)-1-benzothiophene is FC(F)(F)Cc1csc2ccccc12.
What is the InChIKey of 3-(2,2,2-trifluoroethyl)-1-benzothiophene?
The InChIKey is REERTQJNQXGZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3S/c11-10(12,13)5-7-6-14-9-4-2-1-3-8(7)9/h1-4,6H,5H2.
What are the key properties of 3-(2,2,2-trifluoroethyl)-1-benzothiophene?
3-(2,2,2-trifluoroethyl)-1-benzothiophene has a molecular weight of 216.23 g/mol, XLogP of 4.01, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,2-trifluoroethyl)-1-benzothiophene is sourced from PubChem (CID 116932204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).