(1R)-2,2,2-trifluoro-1-phenyl-1-(1H-pyrrol-2-yl)ethanol

C12H10F3NO — CID 102280270

IUPAC(1R)-2,2,2-trifluoro-1-phenyl-1-(1H-pyrrol-2-yl)ethanol
SMILESO[C@](c1ccccc1)(c1ccc[nH]1)C(F)(F)F
InChIInChI=1S/C12H10F3NO/c13-12(14,15)11(17,10-7-4-8-16-10)9-5-2-1-3-6-9/h1-8,16-17H/t11-/m1/s1
InChIKeyAFRUUCVKSGGORC-LLVKDONJSA-N
MW241.21 g/mol
LogP2.81
Rot. Bonds2

About (1R)-2,2,2-trifluoro-1-phenyl-1-(1H-pyrrol-2-yl)ethanol

(1R)-2,2,2-trifluoro-1-phenyl-1-(1H-pyrrol-2-yl)ethanol (PubChem CID 102280270) has the molecular formula C12H10F3NO and a molecular weight of 241.21 g/mol. Its IUPAC name is (1R)-2,2,2-trifluoro-1-phenyl-1-(1H-pyrrol-2-yl)ethanol.

Molecular Properties

Compound Name(1R)-2,2,2-trifluoro-1-phenyl-1-(1H-pyrrol-2-yl)ethanol
PubChem CID102280270
Molecular FormulaC12H10F3NO
Molecular Weight241.21 g/mol
Exact Mass241.07
IUPAC Name(1R)-2,2,2-trifluoro-1-phenyl-1-(1H-pyrrol-2-yl)ethanol
SMILESO[C@](c1ccccc1)(c1ccc[nH]1)C(F)(F)F
InChIInChI=1S/C12H10F3NO/c13-12(14,15)11(17,10-7-4-8-16-10)9-5-2-1-3-6-9/h1-8,16-17H/t11-/m1/s1
InChIKeyAFRUUCVKSGGORC-LLVKDONJSA-N
XLogP2.81
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R)-2,2,2-trifluoro-1-phenyl-1-(1H-pyrrol-2-yl)ethanol?
The IUPAC name of (1R)-2,2,2-trifluoro-1-phenyl-1-(1H-pyrrol-2-yl)ethanol (CID 102280270) is (1R)-2,2,2-trifluoro-1-phenyl-1-(1H-pyrrol-2-yl)ethanol.
What is the SMILES notation for (1R)-2,2,2-trifluoro-1-phenyl-1-(1H-pyrrol-2-yl)ethanol?
The canonical SMILES for (1R)-2,2,2-trifluoro-1-phenyl-1-(1H-pyrrol-2-yl)ethanol is O[C@](c1ccccc1)(c1ccc[nH]1)C(F)(F)F.
What is the InChIKey of (1R)-2,2,2-trifluoro-1-phenyl-1-(1H-pyrrol-2-yl)ethanol?
The InChIKey is AFRUUCVKSGGORC-LLVKDONJSA-N. The full InChI is InChI=1S/C12H10F3NO/c13-12(14,15)11(17,10-7-4-8-16-10)9-5-2-1-3-6-9/h1-8,16-17H/t11-/m1/s1.
What are the key properties of (1R)-2,2,2-trifluoro-1-phenyl-1-(1H-pyrrol-2-yl)ethanol?
(1R)-2,2,2-trifluoro-1-phenyl-1-(1H-pyrrol-2-yl)ethanol has a molecular weight of 241.21 g/mol, XLogP of 2.81, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2,2-trifluoro-1-phenyl-1-(1H-pyrrol-2-yl)ethanol is sourced from PubChem (CID 102280270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).