1-cyclopropyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone

C11H10F3NOS — CID 63905167

IUPAC1-cyclopropyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone
SMILESO=C(CSc1ccc(C(F)(F)F)cn1)C1CC1
InChIInChI=1S/C11H10F3NOS/c12-11(13,14)8-3-4-10(15-5-8)17-6-9(16)7-1-2-7/h3-5,7H,1-2,6H2
InChIKeyICCYAQLGEBOZPG-UHFFFAOYSA-N
MW261.27 g/mol
LogP3.17
Rot. Bonds4

About 1-cyclopropyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone

1-cyclopropyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone (PubChem CID 63905167) has the molecular formula C11H10F3NOS and a molecular weight of 261.27 g/mol. Its IUPAC name is 1-cyclopropyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone
PubChem CID63905167
Molecular FormulaC11H10F3NOS
Molecular Weight261.27 g/mol
Exact Mass261.04
IUPAC Name1-cyclopropyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone
SMILESO=C(CSc1ccc(C(F)(F)F)cn1)C1CC1
InChIInChI=1S/C11H10F3NOS/c12-11(13,14)8-3-4-10(15-5-8)17-6-9(16)7-1-2-7/h3-5,7H,1-2,6H2
InChIKeyICCYAQLGEBOZPG-UHFFFAOYSA-N
XLogP3.17
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone?
The IUPAC name of 1-cyclopropyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone (CID 63905167) is 1-cyclopropyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone.
What is the SMILES notation for 1-cyclopropyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone?
The canonical SMILES for 1-cyclopropyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone is O=C(CSc1ccc(C(F)(F)F)cn1)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone?
The InChIKey is ICCYAQLGEBOZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NOS/c12-11(13,14)8-3-4-10(15-5-8)17-6-9(16)7-1-2-7/h3-5,7H,1-2,6H2.
What are the key properties of 1-cyclopropyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone?
1-cyclopropyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone has a molecular weight of 261.27 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone is sourced from PubChem (CID 63905167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).