4-chloro-2-(trifluoromethyl)thiophene

C5H2ClF3S — CID 23058066

IUPAC4-chloro-2-(trifluoromethyl)thiophene
SMILESFC(F)(F)c1cc(Cl)cs1
InChIInChI=1S/C5H2ClF3S/c6-3-1-4(10-2-3)5(7,8)9/h1-2H
InChIKeyOTXHUBIZVUTVIY-UHFFFAOYSA-N
MW186.59 g/mol
LogP3.42
Rot. Bonds

About 4-chloro-2-(trifluoromethyl)thiophene

4-chloro-2-(trifluoromethyl)thiophene (PubChem CID 23058066) has the molecular formula C5H2ClF3S and a molecular weight of 186.59 g/mol. Its IUPAC name is 4-chloro-2-(trifluoromethyl)thiophene.

Molecular Properties

Compound Name4-chloro-2-(trifluoromethyl)thiophene
PubChem CID23058066
Molecular FormulaC5H2ClF3S
Molecular Weight186.59 g/mol
Exact Mass185.95
IUPAC Name4-chloro-2-(trifluoromethyl)thiophene
SMILESFC(F)(F)c1cc(Cl)cs1
InChIInChI=1S/C5H2ClF3S/c6-3-1-4(10-2-3)5(7,8)9/h1-2H
InChIKeyOTXHUBIZVUTVIY-UHFFFAOYSA-N
XLogP3.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.59
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(trifluoromethyl)thiophene?
The IUPAC name of 4-chloro-2-(trifluoromethyl)thiophene (CID 23058066) is 4-chloro-2-(trifluoromethyl)thiophene.
What is the SMILES notation for 4-chloro-2-(trifluoromethyl)thiophene?
The canonical SMILES for 4-chloro-2-(trifluoromethyl)thiophene is FC(F)(F)c1cc(Cl)cs1.
What is the InChIKey of 4-chloro-2-(trifluoromethyl)thiophene?
The InChIKey is OTXHUBIZVUTVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2ClF3S/c6-3-1-4(10-2-3)5(7,8)9/h1-2H.
What are the key properties of 4-chloro-2-(trifluoromethyl)thiophene?
4-chloro-2-(trifluoromethyl)thiophene has a molecular weight of 186.59 g/mol, XLogP of 3.42, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(trifluoromethyl)thiophene is sourced from PubChem (CID 23058066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).