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

C12H11F3OS2 — CID 112745483

IUPAC1-(3-methylthiophen-2-yl)-1-[4-(trifluoromethyl)thiophen-3-yl]ethanol
SMILESCc1ccsc1C(C)(O)c1cscc1C(F)(F)F
InChIInChI=1S/C12H11F3OS2/c1-7-3-4-18-10(7)11(2,16)8-5-17-6-9(8)12(13,14)15/h3-6,16H,1-2H3
InChIKeyYDBVERPLHWZPGD-UHFFFAOYSA-N
MW292.35 g/mol
LogP4.39
Rot. Bonds2

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

1-(3-methylthiophen-2-yl)-1-[4-(trifluoromethyl)thiophen-3-yl]ethanol (PubChem CID 112745483) has the molecular formula C12H11F3OS2 and a molecular weight of 292.35 g/mol. Its IUPAC name is 1-(3-methylthiophen-2-yl)-1-[4-(trifluoromethyl)thiophen-3-yl]ethanol.

Molecular Properties

Compound Name1-(3-methylthiophen-2-yl)-1-[4-(trifluoromethyl)thiophen-3-yl]ethanol
PubChem CID112745483
Molecular FormulaC12H11F3OS2
Molecular Weight292.35 g/mol
Exact Mass292.02
IUPAC Name1-(3-methylthiophen-2-yl)-1-[4-(trifluoromethyl)thiophen-3-yl]ethanol
SMILESCc1ccsc1C(C)(O)c1cscc1C(F)(F)F
InChIInChI=1S/C12H11F3OS2/c1-7-3-4-18-10(7)11(2,16)8-5-17-6-9(8)12(13,14)15/h3-6,16H,1-2H3
InChIKeyYDBVERPLHWZPGD-UHFFFAOYSA-N
XLogP4.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 54.39
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)thiophen-3-yl]ethanol?
The IUPAC name of 1-(3-methylthiophen-2-yl)-1-[4-(trifluoromethyl)thiophen-3-yl]ethanol (CID 112745483) is 1-(3-methylthiophen-2-yl)-1-[4-(trifluoromethyl)thiophen-3-yl]ethanol.
What is the SMILES notation for 1-(3-methylthiophen-2-yl)-1-[4-(trifluoromethyl)thiophen-3-yl]ethanol?
The canonical SMILES for 1-(3-methylthiophen-2-yl)-1-[4-(trifluoromethyl)thiophen-3-yl]ethanol is Cc1ccsc1C(C)(O)c1cscc1C(F)(F)F.
What is the InChIKey of 1-(3-methylthiophen-2-yl)-1-[4-(trifluoromethyl)thiophen-3-yl]ethanol?
The InChIKey is YDBVERPLHWZPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3OS2/c1-7-3-4-18-10(7)11(2,16)8-5-17-6-9(8)12(13,14)15/h3-6,16H,1-2H3.
What are the key properties of 1-(3-methylthiophen-2-yl)-1-[4-(trifluoromethyl)thiophen-3-yl]ethanol?
1-(3-methylthiophen-2-yl)-1-[4-(trifluoromethyl)thiophen-3-yl]ethanol has a molecular weight of 292.35 g/mol, XLogP of 4.39, 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)thiophen-3-yl]ethanol is sourced from PubChem (CID 112745483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).