1-(5-chlorothiophen-2-yl)-2-[3-(trifluoromethyl)pyrrolidin-1-yl]ethanone

C11H11ClF3NOS — CID 114271932

IUPAC1-(5-chlorothiophen-2-yl)-2-[3-(trifluoromethyl)pyrrolidin-1-yl]ethanone
SMILESO=C(CN1CCC(C(F)(F)F)C1)c1ccc(Cl)s1
InChIInChI=1S/C11H11ClF3NOS/c12-10-2-1-9(18-10)8(17)6-16-4-3-7(5-16)11(13,14)15/h1-2,7H,3-6H2
InChIKeyJVFZUELEGLNQLQ-UHFFFAOYSA-N
MW297.73 g/mol
LogP3.47
Rot. Bonds3

About 1-(5-chlorothiophen-2-yl)-2-[3-(trifluoromethyl)pyrrolidin-1-yl]ethanone

1-(5-chlorothiophen-2-yl)-2-[3-(trifluoromethyl)pyrrolidin-1-yl]ethanone (PubChem CID 114271932) has the molecular formula C11H11ClF3NOS and a molecular weight of 297.73 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-[3-(trifluoromethyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-[3-(trifluoromethyl)pyrrolidin-1-yl]ethanone
PubChem CID114271932
Molecular FormulaC11H11ClF3NOS
Molecular Weight297.73 g/mol
Exact Mass297.02
IUPAC Name1-(5-chlorothiophen-2-yl)-2-[3-(trifluoromethyl)pyrrolidin-1-yl]ethanone
SMILESO=C(CN1CCC(C(F)(F)F)C1)c1ccc(Cl)s1
InChIInChI=1S/C11H11ClF3NOS/c12-10-2-1-9(18-10)8(17)6-16-4-3-7(5-16)11(13,14)15/h1-2,7H,3-6H2
InChIKeyJVFZUELEGLNQLQ-UHFFFAOYSA-N
XLogP3.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.73
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-[3-(trifluoromethyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-[3-(trifluoromethyl)pyrrolidin-1-yl]ethanone (CID 114271932) is 1-(5-chlorothiophen-2-yl)-2-[3-(trifluoromethyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-[3-(trifluoromethyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-[3-(trifluoromethyl)pyrrolidin-1-yl]ethanone is O=C(CN1CCC(C(F)(F)F)C1)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-[3-(trifluoromethyl)pyrrolidin-1-yl]ethanone?
The InChIKey is JVFZUELEGLNQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3NOS/c12-10-2-1-9(18-10)8(17)6-16-4-3-7(5-16)11(13,14)15/h1-2,7H,3-6H2.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-[3-(trifluoromethyl)pyrrolidin-1-yl]ethanone?
1-(5-chlorothiophen-2-yl)-2-[3-(trifluoromethyl)pyrrolidin-1-yl]ethanone has a molecular weight of 297.73 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-2-[3-(trifluoromethyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 114271932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).