3-(chloromethyl)-4-(trifluoromethyl)thiophene

C6H4ClF3S — CID 130531853

IUPAC3-(chloromethyl)-4-(trifluoromethyl)thiophene
SMILESFC(F)(F)c1cscc1CCl
InChIInChI=1S/C6H4ClF3S/c7-1-4-2-11-3-5(4)6(8,9)10/h2-3H,1H2
InChIKeyXWFWIKUWYXPNDF-UHFFFAOYSA-N
MW200.61 g/mol
LogP3.51
Rot. Bonds1

About 3-(chloromethyl)-4-(trifluoromethyl)thiophene

3-(chloromethyl)-4-(trifluoromethyl)thiophene (PubChem CID 130531853) has the molecular formula C6H4ClF3S and a molecular weight of 200.61 g/mol. Its IUPAC name is 3-(chloromethyl)-4-(trifluoromethyl)thiophene.

Molecular Properties

Compound Name3-(chloromethyl)-4-(trifluoromethyl)thiophene
PubChem CID130531853
Molecular FormulaC6H4ClF3S
Molecular Weight200.61 g/mol
Exact Mass199.97
IUPAC Name3-(chloromethyl)-4-(trifluoromethyl)thiophene
SMILESFC(F)(F)c1cscc1CCl
InChIInChI=1S/C6H4ClF3S/c7-1-4-2-11-3-5(4)6(8,9)10/h2-3H,1H2
InChIKeyXWFWIKUWYXPNDF-UHFFFAOYSA-N
XLogP3.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.61
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-4-(trifluoromethyl)thiophene?
The IUPAC name of 3-(chloromethyl)-4-(trifluoromethyl)thiophene (CID 130531853) is 3-(chloromethyl)-4-(trifluoromethyl)thiophene.
What is the SMILES notation for 3-(chloromethyl)-4-(trifluoromethyl)thiophene?
The canonical SMILES for 3-(chloromethyl)-4-(trifluoromethyl)thiophene is FC(F)(F)c1cscc1CCl.
What is the InChIKey of 3-(chloromethyl)-4-(trifluoromethyl)thiophene?
The InChIKey is XWFWIKUWYXPNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClF3S/c7-1-4-2-11-3-5(4)6(8,9)10/h2-3H,1H2.
What are the key properties of 3-(chloromethyl)-4-(trifluoromethyl)thiophene?
3-(chloromethyl)-4-(trifluoromethyl)thiophene has a molecular weight of 200.61 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-4-(trifluoromethyl)thiophene is sourced from PubChem (CID 130531853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).