1-(trifluoromethyl)thiophen-1-ium

C5H4F3S+ — CID 87221970

IUPAC1-(trifluoromethyl)thiophen-1-ium
SMILESFC(F)(F)[s+]1cccc1
InChIInChI=1S/C5H4F3S/c6-5(7,8)9-3-1-2-4-9/h1-4H/q+1
InChIKeyRCGRYNQRALOXGY-UHFFFAOYSA-N
MW153.15 g/mol
LogP2.91
Rot. Bonds

About 1-(trifluoromethyl)thiophen-1-ium

1-(trifluoromethyl)thiophen-1-ium (PubChem CID 87221970) has the molecular formula C5H4F3S+ and a molecular weight of 153.15 g/mol. Its IUPAC name is 1-(trifluoromethyl)thiophen-1-ium.

Molecular Properties

Compound Name1-(trifluoromethyl)thiophen-1-ium
PubChem CID87221970
Molecular FormulaC5H4F3S+
Molecular Weight153.15 g/mol
Exact Mass153.00
IUPAC Name1-(trifluoromethyl)thiophen-1-ium
SMILESFC(F)(F)[s+]1cccc1
InChIInChI=1S/C5H4F3S/c6-5(7,8)9-3-1-2-4-9/h1-4H/q+1
InChIKeyRCGRYNQRALOXGY-UHFFFAOYSA-N
XLogP2.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.15
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)thiophen-1-ium?
The IUPAC name of 1-(trifluoromethyl)thiophen-1-ium (CID 87221970) is 1-(trifluoromethyl)thiophen-1-ium.
What is the SMILES notation for 1-(trifluoromethyl)thiophen-1-ium?
The canonical SMILES for 1-(trifluoromethyl)thiophen-1-ium is FC(F)(F)[s+]1cccc1.
What is the InChIKey of 1-(trifluoromethyl)thiophen-1-ium?
The InChIKey is RCGRYNQRALOXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3S/c6-5(7,8)9-3-1-2-4-9/h1-4H/q+1.
What are the key properties of 1-(trifluoromethyl)thiophen-1-ium?
1-(trifluoromethyl)thiophen-1-ium has a molecular weight of 153.15 g/mol, XLogP of 2.91, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)thiophen-1-ium is sourced from PubChem (CID 87221970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).