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

C12H8F3NO2S — CID 43802335

IUPAC1-(furan-2-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone
SMILESO=C(CSc1ccc(C(F)(F)F)cn1)c1ccco1
InChIInChI=1S/C12H8F3NO2S/c13-12(14,15)8-3-4-11(16-6-8)19-7-9(17)10-2-1-5-18-10/h1-6H,7H2
InChIKeyGBHUXWFCOSAJAG-UHFFFAOYSA-N
MW287.26 g/mol
LogP3.67
Rot. Bonds4

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

1-(furan-2-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone (PubChem CID 43802335) has the molecular formula C12H8F3NO2S and a molecular weight of 287.26 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone.

Molecular Properties

Compound Name1-(furan-2-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone
PubChem CID43802335
Molecular FormulaC12H8F3NO2S
Molecular Weight287.26 g/mol
Exact Mass287.02
IUPAC Name1-(furan-2-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone
SMILESO=C(CSc1ccc(C(F)(F)F)cn1)c1ccco1
InChIInChI=1S/C12H8F3NO2S/c13-12(14,15)8-3-4-11(16-6-8)19-7-9(17)10-2-1-5-18-10/h1-6H,7H2
InChIKeyGBHUXWFCOSAJAG-UHFFFAOYSA-N
XLogP3.67
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.26
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone?
The IUPAC name of 1-(furan-2-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone (CID 43802335) is 1-(furan-2-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone.
What is the SMILES notation for 1-(furan-2-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone?
The canonical SMILES for 1-(furan-2-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone is O=C(CSc1ccc(C(F)(F)F)cn1)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone?
The InChIKey is GBHUXWFCOSAJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NO2S/c13-12(14,15)8-3-4-11(16-6-8)19-7-9(17)10-2-1-5-18-10/h1-6H,7H2.
What are the key properties of 1-(furan-2-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone?
1-(furan-2-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone has a molecular weight of 287.26 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone is sourced from PubChem (CID 43802335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).