(1R)-2,2,2-trifluoro-1-[5-fluoro-2-(3-methylpyrazol-1-yl)phenyl]ethanol

C12H10F4N2O — CID 66742508

IUPAC(1R)-2,2,2-trifluoro-1-[5-fluoro-2-(3-methylpyrazol-1-yl)phenyl]ethanol
SMILESCc1ccn(-c2ccc(F)cc2[C@@H](O)C(F)(F)F)n1
InChIInChI=1S/C12H10F4N2O/c1-7-4-5-18(17-7)10-3-2-8(13)6-9(10)11(19)12(14,15)16/h2-6,11,19H,1H3/t11-/m1/s1
InChIKeyLSVGONLXDSVXAA-LLVKDONJSA-N
MW274.22 g/mol
LogP2.92
Rot. Bonds2

About (1R)-2,2,2-trifluoro-1-[5-fluoro-2-(3-methylpyrazol-1-yl)phenyl]ethanol

(1R)-2,2,2-trifluoro-1-[5-fluoro-2-(3-methylpyrazol-1-yl)phenyl]ethanol (PubChem CID 66742508) has the molecular formula C12H10F4N2O and a molecular weight of 274.22 g/mol. Its IUPAC name is (1R)-2,2,2-trifluoro-1-[5-fluoro-2-(3-methylpyrazol-1-yl)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-2,2,2-trifluoro-1-[5-fluoro-2-(3-methylpyrazol-1-yl)phenyl]ethanol
PubChem CID66742508
Molecular FormulaC12H10F4N2O
Molecular Weight274.22 g/mol
Exact Mass274.07
IUPAC Name(1R)-2,2,2-trifluoro-1-[5-fluoro-2-(3-methylpyrazol-1-yl)phenyl]ethanol
SMILESCc1ccn(-c2ccc(F)cc2[C@@H](O)C(F)(F)F)n1
InChIInChI=1S/C12H10F4N2O/c1-7-4-5-18(17-7)10-3-2-8(13)6-9(10)11(19)12(14,15)16/h2-6,11,19H,1H3/t11-/m1/s1
InChIKeyLSVGONLXDSVXAA-LLVKDONJSA-N
XLogP2.92
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.22
LogP ≤ 52.92
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-[5-fluoro-2-(3-methylpyrazol-1-yl)phenyl]ethanol?
The IUPAC name of (1R)-2,2,2-trifluoro-1-[5-fluoro-2-(3-methylpyrazol-1-yl)phenyl]ethanol (CID 66742508) is (1R)-2,2,2-trifluoro-1-[5-fluoro-2-(3-methylpyrazol-1-yl)phenyl]ethanol.
What is the SMILES notation for (1R)-2,2,2-trifluoro-1-[5-fluoro-2-(3-methylpyrazol-1-yl)phenyl]ethanol?
The canonical SMILES for (1R)-2,2,2-trifluoro-1-[5-fluoro-2-(3-methylpyrazol-1-yl)phenyl]ethanol is Cc1ccn(-c2ccc(F)cc2[C@@H](O)C(F)(F)F)n1.
What is the InChIKey of (1R)-2,2,2-trifluoro-1-[5-fluoro-2-(3-methylpyrazol-1-yl)phenyl]ethanol?
The InChIKey is LSVGONLXDSVXAA-LLVKDONJSA-N. The full InChI is InChI=1S/C12H10F4N2O/c1-7-4-5-18(17-7)10-3-2-8(13)6-9(10)11(19)12(14,15)16/h2-6,11,19H,1H3/t11-/m1/s1.
What are the key properties of (1R)-2,2,2-trifluoro-1-[5-fluoro-2-(3-methylpyrazol-1-yl)phenyl]ethanol?
(1R)-2,2,2-trifluoro-1-[5-fluoro-2-(3-methylpyrazol-1-yl)phenyl]ethanol has a molecular weight of 274.22 g/mol, XLogP of 2.92, 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-[5-fluoro-2-(3-methylpyrazol-1-yl)phenyl]ethanol is sourced from PubChem (CID 66742508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).