(1R)-1-(1-ethyl-3-methylpyrazol-4-yl)-2,2,2-trifluoroethanol

C8H11F3N2O — CID 51698679

IUPAC(1R)-1-(1-ethyl-3-methylpyrazol-4-yl)-2,2,2-trifluoroethanol
SMILESCCn1cc([C@@H](O)C(F)(F)F)c(C)n1
InChIInChI=1S/C8H11F3N2O/c1-3-13-4-6(5(2)12-13)7(14)8(9,10)11/h4,7,14H,3H2,1-2H3/t7-/m1/s1
InChIKeyXKOLFXORWGQZIB-SSDOTTSWSA-N
MW208.18 g/mol
LogP1.81
Rot. Bonds2

About (1R)-1-(1-ethyl-3-methylpyrazol-4-yl)-2,2,2-trifluoroethanol

(1R)-1-(1-ethyl-3-methylpyrazol-4-yl)-2,2,2-trifluoroethanol (PubChem CID 51698679) has the molecular formula C8H11F3N2O and a molecular weight of 208.18 g/mol. Its IUPAC name is (1R)-1-(1-ethyl-3-methylpyrazol-4-yl)-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name(1R)-1-(1-ethyl-3-methylpyrazol-4-yl)-2,2,2-trifluoroethanol
PubChem CID51698679
Molecular FormulaC8H11F3N2O
Molecular Weight208.18 g/mol
Exact Mass208.08
IUPAC Name(1R)-1-(1-ethyl-3-methylpyrazol-4-yl)-2,2,2-trifluoroethanol
SMILESCCn1cc([C@@H](O)C(F)(F)F)c(C)n1
InChIInChI=1S/C8H11F3N2O/c1-3-13-4-6(5(2)12-13)7(14)8(9,10)11/h4,7,14H,3H2,1-2H3/t7-/m1/s1
InChIKeyXKOLFXORWGQZIB-SSDOTTSWSA-N
XLogP1.81
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(1-ethyl-3-methylpyrazol-4-yl)-2,2,2-trifluoroethanol?
The IUPAC name of (1R)-1-(1-ethyl-3-methylpyrazol-4-yl)-2,2,2-trifluoroethanol (CID 51698679) is (1R)-1-(1-ethyl-3-methylpyrazol-4-yl)-2,2,2-trifluoroethanol.
What is the SMILES notation for (1R)-1-(1-ethyl-3-methylpyrazol-4-yl)-2,2,2-trifluoroethanol?
The canonical SMILES for (1R)-1-(1-ethyl-3-methylpyrazol-4-yl)-2,2,2-trifluoroethanol is CCn1cc([C@@H](O)C(F)(F)F)c(C)n1.
What is the InChIKey of (1R)-1-(1-ethyl-3-methylpyrazol-4-yl)-2,2,2-trifluoroethanol?
The InChIKey is XKOLFXORWGQZIB-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H11F3N2O/c1-3-13-4-6(5(2)12-13)7(14)8(9,10)11/h4,7,14H,3H2,1-2H3/t7-/m1/s1.
What are the key properties of (1R)-1-(1-ethyl-3-methylpyrazol-4-yl)-2,2,2-trifluoroethanol?
(1R)-1-(1-ethyl-3-methylpyrazol-4-yl)-2,2,2-trifluoroethanol has a molecular weight of 208.18 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(1-ethyl-3-methylpyrazol-4-yl)-2,2,2-trifluoroethanol is sourced from PubChem (CID 51698679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).