1-(5-ethylthiophen-2-yl)-2,2,2-trifluoroethanol

C8H9F3OS — CID 61101723

IUPAC1-(5-ethylthiophen-2-yl)-2,2,2-trifluoroethanol
SMILESCCc1ccc(C(O)C(F)(F)F)s1
InChIInChI=1S/C8H9F3OS/c1-2-5-3-4-6(13-5)7(12)8(9,10)11/h3-4,7,12H,2H2,1H3
InChIKeyGDGBESKBNHMRLC-UHFFFAOYSA-N
MW210.22 g/mol
LogP2.91
Rot. Bonds2

About 1-(5-ethylthiophen-2-yl)-2,2,2-trifluoroethanol

1-(5-ethylthiophen-2-yl)-2,2,2-trifluoroethanol (PubChem CID 61101723) has the molecular formula C8H9F3OS and a molecular weight of 210.22 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)-2,2,2-trifluoroethanol
PubChem CID61101723
Molecular FormulaC8H9F3OS
Molecular Weight210.22 g/mol
Exact Mass210.03
IUPAC Name1-(5-ethylthiophen-2-yl)-2,2,2-trifluoroethanol
SMILESCCc1ccc(C(O)C(F)(F)F)s1
InChIInChI=1S/C8H9F3OS/c1-2-5-3-4-6(13-5)7(12)8(9,10)11/h3-4,7,12H,2H2,1H3
InChIKeyGDGBESKBNHMRLC-UHFFFAOYSA-N
XLogP2.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.22
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-ethylthiophen-2-yl)-3,3,3-trifluoropropan-1-ol
CID 61100350
2-(1-chloro-2,2,2-trifluoroethyl)-5-ethylthiophene
CID 61082727
2-[1-bromo-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-5-ethylthiophene
CID 103310684
2,2,2-trifluoro-1-(5-propan-2-ylthiophen-2-yl)ethanol
CID 137411203
3-(5-ethylthiophen-2-yl)butan-2-ol
CID 66436532
2,2,2-trifluoro-1-(5-fluorothiophen-2-yl)ethanol
CID 91927202
2-(5-ethylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetic acid
CID 55062413
(5-ethylthiophen-2-yl)-(2,3,4,5,6-pentamethylphenyl)methanol
CID 63426088
2-(4-ethylphenyl)-1-(5-ethylthiophen-2-yl)ethanol
CID 63896090
(5-ethylthiophen-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 107287311
2-(1-chloro-2,2-dimethylpropyl)-5-ethylthiophene
CID 63430858
2-amino-2-(5-ethylthiophen-2-yl)ethanol
CID 62345942

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)-2,2,2-trifluoroethanol?
The IUPAC name of 1-(5-ethylthiophen-2-yl)-2,2,2-trifluoroethanol (CID 61101723) is 1-(5-ethylthiophen-2-yl)-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)-2,2,2-trifluoroethanol?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)-2,2,2-trifluoroethanol is CCc1ccc(C(O)C(F)(F)F)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)-2,2,2-trifluoroethanol?
The InChIKey is GDGBESKBNHMRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3OS/c1-2-5-3-4-6(13-5)7(12)8(9,10)11/h3-4,7,12H,2H2,1H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)-2,2,2-trifluoroethanol?
1-(5-ethylthiophen-2-yl)-2,2,2-trifluoroethanol has a molecular weight of 210.22 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)-2,2,2-trifluoroethanol is sourced from PubChem (CID 61101723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).