3-chloro-4-(trifluoromethyl)thiophene

C5H2ClF3S — CID 23058038

IUPAC3-chloro-4-(trifluoromethyl)thiophene
SMILESFC(F)(F)c1cscc1Cl
InChIInChI=1S/C5H2ClF3S/c6-4-2-10-1-3(4)5(7,8)9/h1-2H
InChIKeyJZGRBXWUIXECIA-UHFFFAOYSA-N
MW186.59 g/mol
LogP3.42
Rot. Bonds

About 3-chloro-4-(trifluoromethyl)thiophene

3-chloro-4-(trifluoromethyl)thiophene (PubChem CID 23058038) has the molecular formula C5H2ClF3S and a molecular weight of 186.59 g/mol. Its IUPAC name is 3-chloro-4-(trifluoromethyl)thiophene.

Molecular Properties

Compound Name3-chloro-4-(trifluoromethyl)thiophene
PubChem CID23058038
Molecular FormulaC5H2ClF3S
Molecular Weight186.59 g/mol
Exact Mass185.95
IUPAC Name3-chloro-4-(trifluoromethyl)thiophene
SMILESFC(F)(F)c1cscc1Cl
InChIInChI=1S/C5H2ClF3S/c6-4-2-10-1-3(4)5(7,8)9/h1-2H
InChIKeyJZGRBXWUIXECIA-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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Related Compounds

3-(Chloromethyl)-4-(trifluoromethyl)thiophene
CID 130531853
2-Chloro-4-methyl-3-(trifluoromethyl)thiophene
CID 20400072
3-Chloro-4-fluorothiophene
CID 54164418
2-Chloro-4-(trifluoromethyl)thiophene
CID 57313520
2-Chloro-3-trifluoromethyl-thiophene
CID 68750339
3-Chloro-2-fluoro-4-methylthiophene
CID 138494994
2-Chloro-4-(fluoromethyl)-3-methylthiophene
CID 163455277
2-Chloro-3-methyl-4-(trifluoromethyl)thiophene
CID 163531877
2-Chloro-4-(difluoromethyl)-3-methylthiophene
CID 163736746
4-Chloro-2-fluoro-3-methylthiophene
CID 166808470
2-Chloro-4-fluoro-3-methylthiophene
CID 166808486
2-Chloro-4-(difluoromethyl)thiophene
CID 175837328

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(trifluoromethyl)thiophene?
The IUPAC name of 3-chloro-4-(trifluoromethyl)thiophene (CID 23058038) is 3-chloro-4-(trifluoromethyl)thiophene.
What is the SMILES notation for 3-chloro-4-(trifluoromethyl)thiophene?
The canonical SMILES for 3-chloro-4-(trifluoromethyl)thiophene is FC(F)(F)c1cscc1Cl.
What is the InChIKey of 3-chloro-4-(trifluoromethyl)thiophene?
The InChIKey is JZGRBXWUIXECIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2ClF3S/c6-4-2-10-1-3(4)5(7,8)9/h1-2H.
What are the key properties of 3-chloro-4-(trifluoromethyl)thiophene?
3-chloro-4-(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 3-chloro-4-(trifluoromethyl)thiophene is sourced from PubChem (CID 23058038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).