3-(trifluoromethyl)thiophene

C5H3F3S — CID 2769441

IUPAC3-(trifluoromethyl)thiophene
SMILESFC(F)(F)c1ccsc1
InChIInChI=1S/C5H3F3S/c6-5(7,8)4-1-2-9-3-4/h1-3H
InChIKeyCORHGUPIEQAJDV-UHFFFAOYSA-N
MW152.14 g/mol
LogP2.77
Rot. Bonds

About 3-(trifluoromethyl)thiophene

3-(trifluoromethyl)thiophene (PubChem CID 2769441) has the molecular formula C5H3F3S and a molecular weight of 152.14 g/mol. Its IUPAC name is 3-(trifluoromethyl)thiophene.

Molecular Properties

Compound Name3-(trifluoromethyl)thiophene
PubChem CID2769441
Molecular FormulaC5H3F3S
Molecular Weight152.14 g/mol
Exact Mass151.99
IUPAC Name3-(trifluoromethyl)thiophene
SMILESFC(F)(F)c1ccsc1
InChIInChI=1S/C5H3F3S/c6-5(7,8)4-1-2-9-3-4/h1-3H
InChIKeyCORHGUPIEQAJDV-UHFFFAOYSA-N
XLogP2.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.14
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)thiophene?
The IUPAC name of 3-(trifluoromethyl)thiophene (CID 2769441) is 3-(trifluoromethyl)thiophene.
What is the SMILES notation for 3-(trifluoromethyl)thiophene?
The canonical SMILES for 3-(trifluoromethyl)thiophene is FC(F)(F)c1ccsc1.
What is the InChIKey of 3-(trifluoromethyl)thiophene?
The InChIKey is CORHGUPIEQAJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F3S/c6-5(7,8)4-1-2-9-3-4/h1-3H.
What are the key properties of 3-(trifluoromethyl)thiophene?
3-(trifluoromethyl)thiophene has a molecular weight of 152.14 g/mol, XLogP of 2.77, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)thiophene is sourced from PubChem (CID 2769441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).