(1R)-1-[5-fluoro-2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanol

C12H10F4N2O — CID 78941349

IUPAC(1R)-1-[5-fluoro-2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanol
SMILESC[C@@H](O)c1cc(F)ccc1-n1ccc(C(F)(F)F)n1
InChIInChI=1S/C12H10F4N2O/c1-7(19)9-6-8(13)2-3-10(9)18-5-4-11(17-18)12(14,15)16/h2-7,19H,1H3/t7-/m1/s1
InChIKeyPOKBYDYSGYEBSQ-SSDOTTSWSA-N
MW274.22 g/mol
LogP3.08
Rot. Bonds2

About (1R)-1-[5-fluoro-2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanol

(1R)-1-[5-fluoro-2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanol (PubChem CID 78941349) has the molecular formula C12H10F4N2O and a molecular weight of 274.22 g/mol. Its IUPAC name is (1R)-1-[5-fluoro-2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[5-fluoro-2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanol
PubChem CID78941349
Molecular FormulaC12H10F4N2O
Molecular Weight274.22 g/mol
Exact Mass274.07
IUPAC Name(1R)-1-[5-fluoro-2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanol
SMILESC[C@@H](O)c1cc(F)ccc1-n1ccc(C(F)(F)F)n1
InChIInChI=1S/C12H10F4N2O/c1-7(19)9-6-8(13)2-3-10(9)18-5-4-11(17-18)12(14,15)16/h2-7,19H,1H3/t7-/m1/s1
InChIKeyPOKBYDYSGYEBSQ-SSDOTTSWSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-fluoro-2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanol?
The IUPAC name of (1R)-1-[5-fluoro-2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanol (CID 78941349) is (1R)-1-[5-fluoro-2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanol.
What is the SMILES notation for (1R)-1-[5-fluoro-2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanol?
The canonical SMILES for (1R)-1-[5-fluoro-2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanol is C[C@@H](O)c1cc(F)ccc1-n1ccc(C(F)(F)F)n1.
What is the InChIKey of (1R)-1-[5-fluoro-2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanol?
The InChIKey is POKBYDYSGYEBSQ-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H10F4N2O/c1-7(19)9-6-8(13)2-3-10(9)18-5-4-11(17-18)12(14,15)16/h2-7,19H,1H3/t7-/m1/s1.
What are the key properties of (1R)-1-[5-fluoro-2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanol?
(1R)-1-[5-fluoro-2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanol has a molecular weight of 274.22 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-fluoro-2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanol is sourced from PubChem (CID 78941349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).