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

C12H10F3NOS — CID 102707236

IUPAC1-thiophen-2-yl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol
SMILESCC(O)(c1cccs1)c1cnccc1C(F)(F)F
InChIInChI=1S/C12H10F3NOS/c1-11(17,10-3-2-6-18-10)9-7-16-5-4-8(9)12(13,14)15/h2-7,17H,1H3
InChIKeyBHTLXUWEHZAIPB-UHFFFAOYSA-N
MW273.28 g/mol
LogP3.42
Rot. Bonds2

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

1-thiophen-2-yl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol (PubChem CID 102707236) has the molecular formula C12H10F3NOS and a molecular weight of 273.28 g/mol. Its IUPAC name is 1-thiophen-2-yl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol.

Molecular Properties

Compound Name1-thiophen-2-yl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol
PubChem CID102707236
Molecular FormulaC12H10F3NOS
Molecular Weight273.28 g/mol
Exact Mass273.04
IUPAC Name1-thiophen-2-yl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol
SMILESCC(O)(c1cccs1)c1cnccc1C(F)(F)F
InChIInChI=1S/C12H10F3NOS/c1-11(17,10-3-2-6-18-10)9-7-16-5-4-8(9)12(13,14)15/h2-7,17H,1H3
InChIKeyBHTLXUWEHZAIPB-UHFFFAOYSA-N
XLogP3.42
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-yl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol?
The IUPAC name of 1-thiophen-2-yl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol (CID 102707236) is 1-thiophen-2-yl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol.
What is the SMILES notation for 1-thiophen-2-yl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol?
The canonical SMILES for 1-thiophen-2-yl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol is CC(O)(c1cccs1)c1cnccc1C(F)(F)F.
What is the InChIKey of 1-thiophen-2-yl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol?
The InChIKey is BHTLXUWEHZAIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NOS/c1-11(17,10-3-2-6-18-10)9-7-16-5-4-8(9)12(13,14)15/h2-7,17H,1H3.
What are the key properties of 1-thiophen-2-yl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol?
1-thiophen-2-yl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol has a molecular weight of 273.28 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-yl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol is sourced from PubChem (CID 102707236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).