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

C6H4ClF3N2O — CID 175520154

IUPAC2-(2-chloropyrimidin-5-yl)-1,2,2-trifluoroethanol
SMILESOC(F)C(F)(F)c1cnc(Cl)nc1
InChIInChI=1S/C6H4ClF3N2O/c7-5-11-1-3(2-12-5)6(9,10)4(8)13/h1-2,4,13H
InChIKeyMEUHCAROQPTDTE-UHFFFAOYSA-N
MW212.56 g/mol
LogP1.51
Rot. Bonds2

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

2-(2-chloropyrimidin-5-yl)-1,2,2-trifluoroethanol (PubChem CID 175520154) has the molecular formula C6H4ClF3N2O and a molecular weight of 212.56 g/mol. Its IUPAC name is 2-(2-chloropyrimidin-5-yl)-1,2,2-trifluoroethanol.

Molecular Properties

Compound Name2-(2-chloropyrimidin-5-yl)-1,2,2-trifluoroethanol
PubChem CID175520154
Molecular FormulaC6H4ClF3N2O
Molecular Weight212.56 g/mol
Exact Mass212.00
IUPAC Name2-(2-chloropyrimidin-5-yl)-1,2,2-trifluoroethanol
SMILESOC(F)C(F)(F)c1cnc(Cl)nc1
InChIInChI=1S/C6H4ClF3N2O/c7-5-11-1-3(2-12-5)6(9,10)4(8)13/h1-2,4,13H
InChIKeyMEUHCAROQPTDTE-UHFFFAOYSA-N
XLogP1.51
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.56
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloropyrimidin-5-yl)-1,2,2-trifluoroethanol?
The IUPAC name of 2-(2-chloropyrimidin-5-yl)-1,2,2-trifluoroethanol (CID 175520154) is 2-(2-chloropyrimidin-5-yl)-1,2,2-trifluoroethanol.
What is the SMILES notation for 2-(2-chloropyrimidin-5-yl)-1,2,2-trifluoroethanol?
The canonical SMILES for 2-(2-chloropyrimidin-5-yl)-1,2,2-trifluoroethanol is OC(F)C(F)(F)c1cnc(Cl)nc1.
What is the InChIKey of 2-(2-chloropyrimidin-5-yl)-1,2,2-trifluoroethanol?
The InChIKey is MEUHCAROQPTDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClF3N2O/c7-5-11-1-3(2-12-5)6(9,10)4(8)13/h1-2,4,13H.
What are the key properties of 2-(2-chloropyrimidin-5-yl)-1,2,2-trifluoroethanol?
2-(2-chloropyrimidin-5-yl)-1,2,2-trifluoroethanol has a molecular weight of 212.56 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloropyrimidin-5-yl)-1,2,2-trifluoroethanol is sourced from PubChem (CID 175520154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).