2-(5-ethylthiophen-2-yl)-1-[4-(trifluoromethylsulfanyl)phenyl]ethanol

C15H15F3OS2 — CID 65148012

IUPAC2-(5-ethylthiophen-2-yl)-1-[4-(trifluoromethylsulfanyl)phenyl]ethanol
SMILESCCc1ccc(CC(O)c2ccc(SC(F)(F)F)cc2)s1
InChIInChI=1S/C15H15F3OS2/c1-2-11-7-8-13(20-11)9-14(19)10-3-5-12(6-4-10)21-15(16,17)18/h3-8,14,19H,2,9H2,1H3
InChIKeyBEJGKNQBPVEFDN-UHFFFAOYSA-N
MW332.41 g/mol
LogP5.20
Rot. Bonds5

About 2-(5-ethylthiophen-2-yl)-1-[4-(trifluoromethylsulfanyl)phenyl]ethanol

2-(5-ethylthiophen-2-yl)-1-[4-(trifluoromethylsulfanyl)phenyl]ethanol (PubChem CID 65148012) has the molecular formula C15H15F3OS2 and a molecular weight of 332.41 g/mol. Its IUPAC name is 2-(5-ethylthiophen-2-yl)-1-[4-(trifluoromethylsulfanyl)phenyl]ethanol.

Molecular Properties

Compound Name2-(5-ethylthiophen-2-yl)-1-[4-(trifluoromethylsulfanyl)phenyl]ethanol
PubChem CID65148012
Molecular FormulaC15H15F3OS2
Molecular Weight332.41 g/mol
Exact Mass332.05
IUPAC Name2-(5-ethylthiophen-2-yl)-1-[4-(trifluoromethylsulfanyl)phenyl]ethanol
SMILESCCc1ccc(CC(O)c2ccc(SC(F)(F)F)cc2)s1
InChIInChI=1S/C15H15F3OS2/c1-2-11-7-8-13(20-11)9-14(19)10-3-5-12(6-4-10)21-15(16,17)18/h3-8,14,19H,2,9H2,1H3
InChIKeyBEJGKNQBPVEFDN-UHFFFAOYSA-N
XLogP5.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.41
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(trifluoromethylsulfanyl)phenyl]ethane-1,2-diol
CID 73129063
1-(3-bromo-4-methylphenyl)-2-(5-ethylthiophen-2-yl)ethanol
CID 115786511
ethyl 3-hydroxy-3-[4-(trifluoromethylsulfanyl)phenyl]propanoate
CID 62393798
3-hydroxy-3-[4-(trifluoromethylsulfanyl)phenyl]propanoic acid
CID 62395244
2-(3-bromophenyl)-1-[4-(trifluoromethylsulfanyl)phenyl]ethanol
CID 63895311
3-ethyl-1-[4-(trifluoromethylsulfanyl)phenyl]heptan-1-ol
CID 63894731
1-(3-bromophenyl)-2-(5-ethylthiophen-2-yl)ethanol
CID 62606304
2-(5-ethylthiophen-2-yl)-1-(1H-pyrazol-4-yl)ethanol
CID 165472767
1-(4-bromophenyl)sulfanyl-3-(5-ethylthiophen-2-yl)propan-2-ol
CID 66054897
(1S)-1-[4-(trifluoromethylsulfanyl)phenyl]propan-1-amine
CID 171226809
1-[2-bromo-5-(trifluoromethyl)phenyl]-2-(5-ethylthiophen-2-yl)ethanol
CID 115786380
1-[4-(trifluoromethylsulfanyl)phenyl]hexane-2,4-diol
CID 67794201

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethylthiophen-2-yl)-1-[4-(trifluoromethylsulfanyl)phenyl]ethanol?
The IUPAC name of 2-(5-ethylthiophen-2-yl)-1-[4-(trifluoromethylsulfanyl)phenyl]ethanol (CID 65148012) is 2-(5-ethylthiophen-2-yl)-1-[4-(trifluoromethylsulfanyl)phenyl]ethanol.
What is the SMILES notation for 2-(5-ethylthiophen-2-yl)-1-[4-(trifluoromethylsulfanyl)phenyl]ethanol?
The canonical SMILES for 2-(5-ethylthiophen-2-yl)-1-[4-(trifluoromethylsulfanyl)phenyl]ethanol is CCc1ccc(CC(O)c2ccc(SC(F)(F)F)cc2)s1.
What is the InChIKey of 2-(5-ethylthiophen-2-yl)-1-[4-(trifluoromethylsulfanyl)phenyl]ethanol?
The InChIKey is BEJGKNQBPVEFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3OS2/c1-2-11-7-8-13(20-11)9-14(19)10-3-5-12(6-4-10)21-15(16,17)18/h3-8,14,19H,2,9H2,1H3.
What are the key properties of 2-(5-ethylthiophen-2-yl)-1-[4-(trifluoromethylsulfanyl)phenyl]ethanol?
2-(5-ethylthiophen-2-yl)-1-[4-(trifluoromethylsulfanyl)phenyl]ethanol has a molecular weight of 332.41 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethylthiophen-2-yl)-1-[4-(trifluoromethylsulfanyl)phenyl]ethanol is sourced from PubChem (CID 65148012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).