2,2,2-trifluoro-1,1-bis(1,3-thiazol-5-yl)ethanol

C8H5F3N2OS2 — CID 22106694

IUPAC2,2,2-trifluoro-1,1-bis(1,3-thiazol-5-yl)ethanol
SMILESOC(c1cncs1)(c1cncs1)C(F)(F)F
InChIInChI=1S/C8H5F3N2OS2/c9-8(10,11)7(14,5-1-12-3-15-5)6-2-13-4-16-6/h1-4,14H
InChIKeyOTFAOHAFTYWFLA-UHFFFAOYSA-N
MW266.27 g/mol
LogP2.40
Rot. Bonds2

About 2,2,2-trifluoro-1,1-bis(1,3-thiazol-5-yl)ethanol

2,2,2-trifluoro-1,1-bis(1,3-thiazol-5-yl)ethanol (PubChem CID 22106694) has the molecular formula C8H5F3N2OS2 and a molecular weight of 266.27 g/mol. Its IUPAC name is 2,2,2-trifluoro-1,1-bis(1,3-thiazol-5-yl)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1,1-bis(1,3-thiazol-5-yl)ethanol
PubChem CID22106694
Molecular FormulaC8H5F3N2OS2
Molecular Weight266.27 g/mol
Exact Mass265.98
IUPAC Name2,2,2-trifluoro-1,1-bis(1,3-thiazol-5-yl)ethanol
SMILESOC(c1cncs1)(c1cncs1)C(F)(F)F
InChIInChI=1S/C8H5F3N2OS2/c9-8(10,11)7(14,5-1-12-3-15-5)6-2-13-4-16-6/h1-4,14H
InChIKeyOTFAOHAFTYWFLA-UHFFFAOYSA-N
XLogP2.40
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1,1-bis(1,3-thiazol-5-yl)ethanol?
The IUPAC name of 2,2,2-trifluoro-1,1-bis(1,3-thiazol-5-yl)ethanol (CID 22106694) is 2,2,2-trifluoro-1,1-bis(1,3-thiazol-5-yl)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1,1-bis(1,3-thiazol-5-yl)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1,1-bis(1,3-thiazol-5-yl)ethanol is OC(c1cncs1)(c1cncs1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1,1-bis(1,3-thiazol-5-yl)ethanol?
The InChIKey is OTFAOHAFTYWFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2OS2/c9-8(10,11)7(14,5-1-12-3-15-5)6-2-13-4-16-6/h1-4,14H.
What are the key properties of 2,2,2-trifluoro-1,1-bis(1,3-thiazol-5-yl)ethanol?
2,2,2-trifluoro-1,1-bis(1,3-thiazol-5-yl)ethanol has a molecular weight of 266.27 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1,1-bis(1,3-thiazol-5-yl)ethanol is sourced from PubChem (CID 22106694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).