1-(4-chlorothiophen-2-yl)-2,2,2-trifluoroethanol

C6H4ClF3OS — CID 79426546

IUPAC1-(4-chlorothiophen-2-yl)-2,2,2-trifluoroethanol
SMILESOC(c1cc(Cl)cs1)C(F)(F)F
InChIInChI=1S/C6H4ClF3OS/c7-3-1-4(12-2-3)5(11)6(8,9)10/h1-2,5,11H
InChIKeyCSDOGAQTOXQIEX-UHFFFAOYSA-N
MW216.61 g/mol
LogP3.00
Rot. Bonds1

About 1-(4-chlorothiophen-2-yl)-2,2,2-trifluoroethanol

1-(4-chlorothiophen-2-yl)-2,2,2-trifluoroethanol (PubChem CID 79426546) has the molecular formula C6H4ClF3OS and a molecular weight of 216.61 g/mol. Its IUPAC name is 1-(4-chlorothiophen-2-yl)-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-(4-chlorothiophen-2-yl)-2,2,2-trifluoroethanol
PubChem CID79426546
Molecular FormulaC6H4ClF3OS
Molecular Weight216.61 g/mol
Exact Mass215.96
IUPAC Name1-(4-chlorothiophen-2-yl)-2,2,2-trifluoroethanol
SMILESOC(c1cc(Cl)cs1)C(F)(F)F
InChIInChI=1S/C6H4ClF3OS/c7-3-1-4(12-2-3)5(11)6(8,9)10/h1-2,5,11H
InChIKeyCSDOGAQTOXQIEX-UHFFFAOYSA-N
XLogP3.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.61
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorothiophen-2-yl)-2,2,2-trifluoroethanol?
The IUPAC name of 1-(4-chlorothiophen-2-yl)-2,2,2-trifluoroethanol (CID 79426546) is 1-(4-chlorothiophen-2-yl)-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-(4-chlorothiophen-2-yl)-2,2,2-trifluoroethanol?
The canonical SMILES for 1-(4-chlorothiophen-2-yl)-2,2,2-trifluoroethanol is OC(c1cc(Cl)cs1)C(F)(F)F.
What is the InChIKey of 1-(4-chlorothiophen-2-yl)-2,2,2-trifluoroethanol?
The InChIKey is CSDOGAQTOXQIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClF3OS/c7-3-1-4(12-2-3)5(11)6(8,9)10/h1-2,5,11H.
What are the key properties of 1-(4-chlorothiophen-2-yl)-2,2,2-trifluoroethanol?
1-(4-chlorothiophen-2-yl)-2,2,2-trifluoroethanol has a molecular weight of 216.61 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorothiophen-2-yl)-2,2,2-trifluoroethanol is sourced from PubChem (CID 79426546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).