3-methyl-4-(trifluoromethyl)thiophene

C6H5F3S — CID 57315363

IUPAC3-methyl-4-(trifluoromethyl)thiophene
SMILESCc1cscc1C(F)(F)F
InChIInChI=1S/C6H5F3S/c1-4-2-10-3-5(4)6(7,8)9/h2-3H,1H3
InChIKeyBRDYRGMBGUQFGS-UHFFFAOYSA-N
MW166.17 g/mol
LogP3.08
Rot. Bonds

About 3-methyl-4-(trifluoromethyl)thiophene

3-methyl-4-(trifluoromethyl)thiophene (PubChem CID 57315363) has the molecular formula C6H5F3S and a molecular weight of 166.17 g/mol. Its IUPAC name is 3-methyl-4-(trifluoromethyl)thiophene.

Molecular Properties

Compound Name3-methyl-4-(trifluoromethyl)thiophene
PubChem CID57315363
Molecular FormulaC6H5F3S
Molecular Weight166.17 g/mol
Exact Mass166.01
IUPAC Name3-methyl-4-(trifluoromethyl)thiophene
SMILESCc1cscc1C(F)(F)F
InChIInChI=1S/C6H5F3S/c1-4-2-10-3-5(4)6(7,8)9/h2-3H,1H3
InChIKeyBRDYRGMBGUQFGS-UHFFFAOYSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.17
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(trifluoromethyl)thiophene?
The IUPAC name of 3-methyl-4-(trifluoromethyl)thiophene (CID 57315363) is 3-methyl-4-(trifluoromethyl)thiophene.
What is the SMILES notation for 3-methyl-4-(trifluoromethyl)thiophene?
The canonical SMILES for 3-methyl-4-(trifluoromethyl)thiophene is Cc1cscc1C(F)(F)F.
What is the InChIKey of 3-methyl-4-(trifluoromethyl)thiophene?
The InChIKey is BRDYRGMBGUQFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3S/c1-4-2-10-3-5(4)6(7,8)9/h2-3H,1H3.
What are the key properties of 3-methyl-4-(trifluoromethyl)thiophene?
3-methyl-4-(trifluoromethyl)thiophene has a molecular weight of 166.17 g/mol, XLogP of 3.08, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(trifluoromethyl)thiophene is sourced from PubChem (CID 57315363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).