1-(3-methylthiophen-2-yl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol

C13H12F3NOS — CID 102707328

IUPAC1-(3-methylthiophen-2-yl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol
SMILESCc1ccsc1C(C)(O)c1cnccc1C(F)(F)F
InChIInChI=1S/C13H12F3NOS/c1-8-4-6-19-11(8)12(2,18)10-7-17-5-3-9(10)13(14,15)16/h3-7,18H,1-2H3
InChIKeyOMDXAXFKVCIGGM-UHFFFAOYSA-N
MW287.31 g/mol
LogP3.73
Rot. Bonds2

About 1-(3-methylthiophen-2-yl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol

1-(3-methylthiophen-2-yl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol (PubChem CID 102707328) has the molecular formula C13H12F3NOS and a molecular weight of 287.31 g/mol. Its IUPAC name is 1-(3-methylthiophen-2-yl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol.

Molecular Properties

Compound Name1-(3-methylthiophen-2-yl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol
PubChem CID102707328
Molecular FormulaC13H12F3NOS
Molecular Weight287.31 g/mol
Exact Mass287.06
IUPAC Name1-(3-methylthiophen-2-yl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol
SMILESCc1ccsc1C(C)(O)c1cnccc1C(F)(F)F
InChIInChI=1S/C13H12F3NOS/c1-8-4-6-19-11(8)12(2,18)10-7-17-5-3-9(10)13(14,15)16/h3-7,18H,1-2H3
InChIKeyOMDXAXFKVCIGGM-UHFFFAOYSA-N
XLogP3.73
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylthiophen-2-yl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol?
The IUPAC name of 1-(3-methylthiophen-2-yl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol (CID 102707328) is 1-(3-methylthiophen-2-yl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol.
What is the SMILES notation for 1-(3-methylthiophen-2-yl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol?
The canonical SMILES for 1-(3-methylthiophen-2-yl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol is Cc1ccsc1C(C)(O)c1cnccc1C(F)(F)F.
What is the InChIKey of 1-(3-methylthiophen-2-yl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol?
The InChIKey is OMDXAXFKVCIGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NOS/c1-8-4-6-19-11(8)12(2,18)10-7-17-5-3-9(10)13(14,15)16/h3-7,18H,1-2H3.
What are the key properties of 1-(3-methylthiophen-2-yl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol?
1-(3-methylthiophen-2-yl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol has a molecular weight of 287.31 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylthiophen-2-yl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol is sourced from PubChem (CID 102707328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).