2-ethoxy-2-methyl-1-[4-(trifluoromethyl)thiophen-3-yl]propan-1-ol

C11H15F3O2S — CID 112745532

IUPAC2-ethoxy-2-methyl-1-[4-(trifluoromethyl)thiophen-3-yl]propan-1-ol
SMILESCCOC(C)(C)C(O)c1cscc1C(F)(F)F
InChIInChI=1S/C11H15F3O2S/c1-4-16-10(2,3)9(15)7-5-17-6-8(7)11(12,13)14/h5-6,9,15H,4H2,1-3H3
InChIKeyCJLJYCNCUDSEEK-UHFFFAOYSA-N
MW268.30 g/mol
LogP3.62
Rot. Bonds4

About 2-ethoxy-2-methyl-1-[4-(trifluoromethyl)thiophen-3-yl]propan-1-ol

2-ethoxy-2-methyl-1-[4-(trifluoromethyl)thiophen-3-yl]propan-1-ol (PubChem CID 112745532) has the molecular formula C11H15F3O2S and a molecular weight of 268.30 g/mol. Its IUPAC name is 2-ethoxy-2-methyl-1-[4-(trifluoromethyl)thiophen-3-yl]propan-1-ol.

Molecular Properties

Compound Name2-ethoxy-2-methyl-1-[4-(trifluoromethyl)thiophen-3-yl]propan-1-ol
PubChem CID112745532
Molecular FormulaC11H15F3O2S
Molecular Weight268.30 g/mol
Exact Mass268.07
IUPAC Name2-ethoxy-2-methyl-1-[4-(trifluoromethyl)thiophen-3-yl]propan-1-ol
SMILESCCOC(C)(C)C(O)c1cscc1C(F)(F)F
InChIInChI=1S/C11H15F3O2S/c1-4-16-10(2,3)9(15)7-5-17-6-8(7)11(12,13)14/h5-6,9,15H,4H2,1-3H3
InChIKeyCJLJYCNCUDSEEK-UHFFFAOYSA-N
XLogP3.62
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-methyl-1-[4-(trifluoromethyl)thiophen-3-yl]propan-1-ol?
The IUPAC name of 2-ethoxy-2-methyl-1-[4-(trifluoromethyl)thiophen-3-yl]propan-1-ol (CID 112745532) is 2-ethoxy-2-methyl-1-[4-(trifluoromethyl)thiophen-3-yl]propan-1-ol.
What is the SMILES notation for 2-ethoxy-2-methyl-1-[4-(trifluoromethyl)thiophen-3-yl]propan-1-ol?
The canonical SMILES for 2-ethoxy-2-methyl-1-[4-(trifluoromethyl)thiophen-3-yl]propan-1-ol is CCOC(C)(C)C(O)c1cscc1C(F)(F)F.
What is the InChIKey of 2-ethoxy-2-methyl-1-[4-(trifluoromethyl)thiophen-3-yl]propan-1-ol?
The InChIKey is CJLJYCNCUDSEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3O2S/c1-4-16-10(2,3)9(15)7-5-17-6-8(7)11(12,13)14/h5-6,9,15H,4H2,1-3H3.
What are the key properties of 2-ethoxy-2-methyl-1-[4-(trifluoromethyl)thiophen-3-yl]propan-1-ol?
2-ethoxy-2-methyl-1-[4-(trifluoromethyl)thiophen-3-yl]propan-1-ol has a molecular weight of 268.30 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-methyl-1-[4-(trifluoromethyl)thiophen-3-yl]propan-1-ol is sourced from PubChem (CID 112745532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).