(1R)-2,2,2-trifluoro-1-[2-(3-methylpyrazol-1-yl)phenyl]ethanol

C12H11F3N2O — CID 66743061

IUPAC(1R)-2,2,2-trifluoro-1-[2-(3-methylpyrazol-1-yl)phenyl]ethanol
SMILESCc1ccn(-c2ccccc2[C@@H](O)C(F)(F)F)n1
InChIInChI=1S/C12H11F3N2O/c1-8-6-7-17(16-8)10-5-3-2-4-9(10)11(18)12(13,14)15/h2-7,11,18H,1H3/t11-/m1/s1
InChIKeyUDXDXPNFGYJCJT-LLVKDONJSA-N
MW256.23 g/mol
LogP2.78
Rot. Bonds2

About (1R)-2,2,2-trifluoro-1-[2-(3-methylpyrazol-1-yl)phenyl]ethanol

(1R)-2,2,2-trifluoro-1-[2-(3-methylpyrazol-1-yl)phenyl]ethanol (PubChem CID 66743061) has the molecular formula C12H11F3N2O and a molecular weight of 256.23 g/mol. Its IUPAC name is (1R)-2,2,2-trifluoro-1-[2-(3-methylpyrazol-1-yl)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-2,2,2-trifluoro-1-[2-(3-methylpyrazol-1-yl)phenyl]ethanol
PubChem CID66743061
Molecular FormulaC12H11F3N2O
Molecular Weight256.23 g/mol
Exact Mass256.08
IUPAC Name(1R)-2,2,2-trifluoro-1-[2-(3-methylpyrazol-1-yl)phenyl]ethanol
SMILESCc1ccn(-c2ccccc2[C@@H](O)C(F)(F)F)n1
InChIInChI=1S/C12H11F3N2O/c1-8-6-7-17(16-8)10-5-3-2-4-9(10)11(18)12(13,14)15/h2-7,11,18H,1H3/t11-/m1/s1
InChIKeyUDXDXPNFGYJCJT-LLVKDONJSA-N
XLogP2.78
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-2,2,2-trifluoro-1-[2-(3-methylpyrazol-1-yl)phenyl]ethanol?
The IUPAC name of (1R)-2,2,2-trifluoro-1-[2-(3-methylpyrazol-1-yl)phenyl]ethanol (CID 66743061) is (1R)-2,2,2-trifluoro-1-[2-(3-methylpyrazol-1-yl)phenyl]ethanol.
What is the SMILES notation for (1R)-2,2,2-trifluoro-1-[2-(3-methylpyrazol-1-yl)phenyl]ethanol?
The canonical SMILES for (1R)-2,2,2-trifluoro-1-[2-(3-methylpyrazol-1-yl)phenyl]ethanol is Cc1ccn(-c2ccccc2[C@@H](O)C(F)(F)F)n1.
What is the InChIKey of (1R)-2,2,2-trifluoro-1-[2-(3-methylpyrazol-1-yl)phenyl]ethanol?
The InChIKey is UDXDXPNFGYJCJT-LLVKDONJSA-N. The full InChI is InChI=1S/C12H11F3N2O/c1-8-6-7-17(16-8)10-5-3-2-4-9(10)11(18)12(13,14)15/h2-7,11,18H,1H3/t11-/m1/s1.
What are the key properties of (1R)-2,2,2-trifluoro-1-[2-(3-methylpyrazol-1-yl)phenyl]ethanol?
(1R)-2,2,2-trifluoro-1-[2-(3-methylpyrazol-1-yl)phenyl]ethanol has a molecular weight of 256.23 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2,2-trifluoro-1-[2-(3-methylpyrazol-1-yl)phenyl]ethanol is sourced from PubChem (CID 66743061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).