2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanol

C8H8F3NOS — CID 2779637

IUPAC2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanol
SMILESOCCSc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C8H8F3NOS/c9-8(10,11)6-1-2-7(12-5-6)14-4-3-13/h1-2,5,13H,3-4H2
InChIKeyRHKFAPVDPSTHNV-UHFFFAOYSA-N
MW223.22 g/mol
LogP2.18
Rot. Bonds3

About 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanol

2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanol (PubChem CID 2779637) has the molecular formula C8H8F3NOS and a molecular weight of 223.22 g/mol. Its IUPAC name is 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanol.

Molecular Properties

Compound Name2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanol
PubChem CID2779637
Molecular FormulaC8H8F3NOS
Molecular Weight223.22 g/mol
Exact Mass223.03
IUPAC Name2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanol
SMILESOCCSc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C8H8F3NOS/c9-8(10,11)6-1-2-7(12-5-6)14-4-3-13/h1-2,5,13H,3-4H2
InChIKeyRHKFAPVDPSTHNV-UHFFFAOYSA-N
XLogP2.18
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanol?
The IUPAC name of 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanol (CID 2779637) is 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanol.
What is the SMILES notation for 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanol?
The canonical SMILES for 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanol is OCCSc1ccc(C(F)(F)F)cn1.
What is the InChIKey of 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanol?
The InChIKey is RHKFAPVDPSTHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NOS/c9-8(10,11)6-1-2-7(12-5-6)14-4-3-13/h1-2,5,13H,3-4H2.
What are the key properties of 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanol?
2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanol has a molecular weight of 223.22 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanol is sourced from PubChem (CID 2779637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).