1-(5-chlorothiophen-2-yl)-2,2,2-trifluoroethanone

C6H2ClF3OS — CID 2757932

IUPAC1-(5-chlorothiophen-2-yl)-2,2,2-trifluoroethanone
SMILESO=C(c1ccc(Cl)s1)C(F)(F)F
InChIInChI=1S/C6H2ClF3OS/c7-4-2-1-3(12-4)5(11)6(8,9)10/h1-2H
InChIKeyLJMKUBCRLMOZNU-UHFFFAOYSA-N
MW214.60 g/mol
LogP3.15
Rot. Bonds1

About 1-(5-chlorothiophen-2-yl)-2,2,2-trifluoroethanone

1-(5-chlorothiophen-2-yl)-2,2,2-trifluoroethanone (PubChem CID 2757932) has the molecular formula C6H2ClF3OS and a molecular weight of 214.60 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2,2,2-trifluoroethanone
PubChem CID2757932
Molecular FormulaC6H2ClF3OS
Molecular Weight214.60 g/mol
Exact Mass213.95
IUPAC Name1-(5-chlorothiophen-2-yl)-2,2,2-trifluoroethanone
SMILESO=C(c1ccc(Cl)s1)C(F)(F)F
InChIInChI=1S/C6H2ClF3OS/c7-4-2-1-3(12-4)5(11)6(8,9)10/h1-2H
InChIKeyLJMKUBCRLMOZNU-UHFFFAOYSA-N
XLogP3.15
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.60
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2,2,2-trifluoroethanone (CID 2757932) is 1-(5-chlorothiophen-2-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2,2,2-trifluoroethanone is O=C(c1ccc(Cl)s1)C(F)(F)F.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2,2,2-trifluoroethanone?
The InChIKey is LJMKUBCRLMOZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2ClF3OS/c7-4-2-1-3(12-4)5(11)6(8,9)10/h1-2H.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2,2,2-trifluoroethanone?
1-(5-chlorothiophen-2-yl)-2,2,2-trifluoroethanone has a molecular weight of 214.60 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 2757932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).