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

C6H4ClF3N2O — CID 59526148

IUPAC1-(4-chloropyrimidin-2-yl)-2,2,2-trifluoroethanol
SMILESOC(c1nccc(Cl)n1)C(F)(F)F
InChIInChI=1S/C6H4ClF3N2O/c7-3-1-2-11-5(12-3)4(13)6(8,9)10/h1-2,4,13H
InChIKeyISGWZNWZUUWORW-UHFFFAOYSA-N
MW212.56 g/mol
LogP1.73
Rot. Bonds1

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

1-(4-chloropyrimidin-2-yl)-2,2,2-trifluoroethanol (PubChem CID 59526148) has the molecular formula C6H4ClF3N2O and a molecular weight of 212.56 g/mol. Its IUPAC name is 1-(4-chloropyrimidin-2-yl)-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-(4-chloropyrimidin-2-yl)-2,2,2-trifluoroethanol
PubChem CID59526148
Molecular FormulaC6H4ClF3N2O
Molecular Weight212.56 g/mol
Exact Mass212.00
IUPAC Name1-(4-chloropyrimidin-2-yl)-2,2,2-trifluoroethanol
SMILESOC(c1nccc(Cl)n1)C(F)(F)F
InChIInChI=1S/C6H4ClF3N2O/c7-3-1-2-11-5(12-3)4(13)6(8,9)10/h1-2,4,13H
InChIKeyISGWZNWZUUWORW-UHFFFAOYSA-N
XLogP1.73
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.56
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloropyrimidin-2-yl)-2,2,2-trifluoroethanol?
The IUPAC name of 1-(4-chloropyrimidin-2-yl)-2,2,2-trifluoroethanol (CID 59526148) is 1-(4-chloropyrimidin-2-yl)-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-(4-chloropyrimidin-2-yl)-2,2,2-trifluoroethanol?
The canonical SMILES for 1-(4-chloropyrimidin-2-yl)-2,2,2-trifluoroethanol is OC(c1nccc(Cl)n1)C(F)(F)F.
What is the InChIKey of 1-(4-chloropyrimidin-2-yl)-2,2,2-trifluoroethanol?
The InChIKey is ISGWZNWZUUWORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClF3N2O/c7-3-1-2-11-5(12-3)4(13)6(8,9)10/h1-2,4,13H.
What are the key properties of 1-(4-chloropyrimidin-2-yl)-2,2,2-trifluoroethanol?
1-(4-chloropyrimidin-2-yl)-2,2,2-trifluoroethanol has a molecular weight of 212.56 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloropyrimidin-2-yl)-2,2,2-trifluoroethanol is sourced from PubChem (CID 59526148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).