[4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-2,5-dihydrothiophen-3-yl]methanol

C11H10F3NOS2 — CID 20623704

IUPAC[4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-2,5-dihydrothiophen-3-yl]methanol
SMILESOCC1=C(Sc2ccc(C(F)(F)F)cn2)CSC1
InChIInChI=1S/C11H10F3NOS2/c12-11(13,14)8-1-2-10(15-3-8)18-9-6-17-5-7(9)4-16/h1-3,16H,4-6H2
InChIKeyINDGZHZSLFIKED-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.19
Rot. Bonds3

About [4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-2,5-dihydrothiophen-3-yl]methanol

[4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-2,5-dihydrothiophen-3-yl]methanol (PubChem CID 20623704) has the molecular formula C11H10F3NOS2 and a molecular weight of 293.33 g/mol. Its IUPAC name is [4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-2,5-dihydrothiophen-3-yl]methanol.

Molecular Properties

Compound Name[4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-2,5-dihydrothiophen-3-yl]methanol
PubChem CID20623704
Molecular FormulaC11H10F3NOS2
Molecular Weight293.33 g/mol
Exact Mass293.02
IUPAC Name[4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-2,5-dihydrothiophen-3-yl]methanol
SMILESOCC1=C(Sc2ccc(C(F)(F)F)cn2)CSC1
InChIInChI=1S/C11H10F3NOS2/c12-11(13,14)8-1-2-10(15-3-8)18-9-6-17-5-7(9)4-16/h1-3,16H,4-6H2
InChIKeyINDGZHZSLFIKED-UHFFFAOYSA-N
XLogP3.19
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-2,5-dihydrothiophen-3-yl]methanol?
The IUPAC name of [4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-2,5-dihydrothiophen-3-yl]methanol (CID 20623704) is [4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-2,5-dihydrothiophen-3-yl]methanol.
What is the SMILES notation for [4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-2,5-dihydrothiophen-3-yl]methanol?
The canonical SMILES for [4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-2,5-dihydrothiophen-3-yl]methanol is OCC1=C(Sc2ccc(C(F)(F)F)cn2)CSC1.
What is the InChIKey of [4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-2,5-dihydrothiophen-3-yl]methanol?
The InChIKey is INDGZHZSLFIKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NOS2/c12-11(13,14)8-1-2-10(15-3-8)18-9-6-17-5-7(9)4-16/h1-3,16H,4-6H2.
What are the key properties of [4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-2,5-dihydrothiophen-3-yl]methanol?
[4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-2,5-dihydrothiophen-3-yl]methanol has a molecular weight of 293.33 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-2,5-dihydrothiophen-3-yl]methanol is sourced from PubChem (CID 20623704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).