2,2,2-trifluoro-1-(5-fluorothiophen-2-yl)ethanol

C6H4F4OS — CID 91927202

IUPAC2,2,2-trifluoro-1-(5-fluorothiophen-2-yl)ethanol
SMILESOC(c1ccc(F)s1)C(F)(F)F
InChIInChI=1S/C6H4F4OS/c7-4-2-1-3(12-4)5(11)6(8,9)10/h1-2,5,11H
InChIKeyMQSSIXQFAXZQBC-UHFFFAOYSA-N
MW200.16 g/mol
LogP2.48
Rot. Bonds1

About 2,2,2-trifluoro-1-(5-fluorothiophen-2-yl)ethanol

2,2,2-trifluoro-1-(5-fluorothiophen-2-yl)ethanol (PubChem CID 91927202) has the molecular formula C6H4F4OS and a molecular weight of 200.16 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(5-fluorothiophen-2-yl)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(5-fluorothiophen-2-yl)ethanol
PubChem CID91927202
Molecular FormulaC6H4F4OS
Molecular Weight200.16 g/mol
Exact Mass199.99
IUPAC Name2,2,2-trifluoro-1-(5-fluorothiophen-2-yl)ethanol
SMILESOC(c1ccc(F)s1)C(F)(F)F
InChIInChI=1S/C6H4F4OS/c7-4-2-1-3(12-4)5(11)6(8,9)10/h1-2,5,11H
InChIKeyMQSSIXQFAXZQBC-UHFFFAOYSA-N
XLogP2.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.16
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(5-fluorothiophen-2-yl)ethanol?
The IUPAC name of 2,2,2-trifluoro-1-(5-fluorothiophen-2-yl)ethanol (CID 91927202) is 2,2,2-trifluoro-1-(5-fluorothiophen-2-yl)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-(5-fluorothiophen-2-yl)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-(5-fluorothiophen-2-yl)ethanol is OC(c1ccc(F)s1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(5-fluorothiophen-2-yl)ethanol?
The InChIKey is MQSSIXQFAXZQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F4OS/c7-4-2-1-3(12-4)5(11)6(8,9)10/h1-2,5,11H.
What are the key properties of 2,2,2-trifluoro-1-(5-fluorothiophen-2-yl)ethanol?
2,2,2-trifluoro-1-(5-fluorothiophen-2-yl)ethanol has a molecular weight of 200.16 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(5-fluorothiophen-2-yl)ethanol is sourced from PubChem (CID 91927202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).