3-benzyl-2-(trifluoromethyl)thiophene

C12H9F3S — CID 175448459

IUPAC3-benzyl-2-(trifluoromethyl)thiophene
SMILESFC(F)(F)c1sccc1Cc1ccccc1
InChIInChI=1S/C12H9F3S/c13-12(14,15)11-10(6-7-16-11)8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyOYXRFVORYALICX-UHFFFAOYSA-N
MW242.27 g/mol
LogP4.36
Rot. Bonds2

About 3-benzyl-2-(trifluoromethyl)thiophene

3-benzyl-2-(trifluoromethyl)thiophene (PubChem CID 175448459) has the molecular formula C12H9F3S and a molecular weight of 242.27 g/mol. Its IUPAC name is 3-benzyl-2-(trifluoromethyl)thiophene.

Molecular Properties

Compound Name3-benzyl-2-(trifluoromethyl)thiophene
PubChem CID175448459
Molecular FormulaC12H9F3S
Molecular Weight242.27 g/mol
Exact Mass242.04
IUPAC Name3-benzyl-2-(trifluoromethyl)thiophene
SMILESFC(F)(F)c1sccc1Cc1ccccc1
InChIInChI=1S/C12H9F3S/c13-12(14,15)11-10(6-7-16-11)8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyOYXRFVORYALICX-UHFFFAOYSA-N
XLogP4.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[2-(trifluoromethyl)thiophen-3-yl]methanol
CID 119054212
4-benzyl-5-(trifluoromethyl)-1H-pyrazole
CID 121219370
1-benzyl-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene
CID 154487763
phenyl(113C)methylbenzene
CID 11194569
1-benzyl-3,5-bis(trifluoromethyl)benzene
CID 11993967
1-benzyl-4-(2,2,2-trifluoroethyl)benzene
CID 172715361
3-(2-phenylethyl)thiophene-2-carboxylic acid
CID 12703606
3-benzyl-1-oxido-2-[4-(trifluoromethyl)phenyl]pyridin-1-ium
CID 46849135
benzylbenzene;methoxymethane
CID 161110966
1-benzyl-4-[2-(4-benzylphenyl)ethyl]benzene
CID 23565947
3,4-dibenzyl-1H-pyrrole
CID 4984366
potassium;benzylbenzene;hydride
CID 173011788

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-(trifluoromethyl)thiophene?
The IUPAC name of 3-benzyl-2-(trifluoromethyl)thiophene (CID 175448459) is 3-benzyl-2-(trifluoromethyl)thiophene.
What is the SMILES notation for 3-benzyl-2-(trifluoromethyl)thiophene?
The canonical SMILES for 3-benzyl-2-(trifluoromethyl)thiophene is FC(F)(F)c1sccc1Cc1ccccc1.
What is the InChIKey of 3-benzyl-2-(trifluoromethyl)thiophene?
The InChIKey is OYXRFVORYALICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3S/c13-12(14,15)11-10(6-7-16-11)8-9-4-2-1-3-5-9/h1-7H,8H2.
What are the key properties of 3-benzyl-2-(trifluoromethyl)thiophene?
3-benzyl-2-(trifluoromethyl)thiophene has a molecular weight of 242.27 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-(trifluoromethyl)thiophene is sourced from PubChem (CID 175448459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).