(1R)-2,2,2-trifluoro-1-(3-fluorophenyl)-1-(1H-pyrrol-2-yl)ethanol

C12H9F4NO — CID 162539790

IUPAC(1R)-2,2,2-trifluoro-1-(3-fluorophenyl)-1-(1H-pyrrol-2-yl)ethanol
SMILESO[C@](c1cccc(F)c1)(c1ccc[nH]1)C(F)(F)F
InChIInChI=1S/C12H9F4NO/c13-9-4-1-3-8(7-9)11(18,12(14,15)16)10-5-2-6-17-10/h1-7,17-18H/t11-/m1/s1
InChIKeyWUWLFYHNDDCSNQ-LLVKDONJSA-N
MW259.20 g/mol
LogP2.95
Rot. Bonds2

About (1R)-2,2,2-trifluoro-1-(3-fluorophenyl)-1-(1H-pyrrol-2-yl)ethanol

(1R)-2,2,2-trifluoro-1-(3-fluorophenyl)-1-(1H-pyrrol-2-yl)ethanol (PubChem CID 162539790) has the molecular formula C12H9F4NO and a molecular weight of 259.20 g/mol. Its IUPAC name is (1R)-2,2,2-trifluoro-1-(3-fluorophenyl)-1-(1H-pyrrol-2-yl)ethanol.

Molecular Properties

Compound Name(1R)-2,2,2-trifluoro-1-(3-fluorophenyl)-1-(1H-pyrrol-2-yl)ethanol
PubChem CID162539790
Molecular FormulaC12H9F4NO
Molecular Weight259.20 g/mol
Exact Mass259.06
IUPAC Name(1R)-2,2,2-trifluoro-1-(3-fluorophenyl)-1-(1H-pyrrol-2-yl)ethanol
SMILESO[C@](c1cccc(F)c1)(c1ccc[nH]1)C(F)(F)F
InChIInChI=1S/C12H9F4NO/c13-9-4-1-3-8(7-9)11(18,12(14,15)16)10-5-2-6-17-10/h1-7,17-18H/t11-/m1/s1
InChIKeyWUWLFYHNDDCSNQ-LLVKDONJSA-N
XLogP2.95
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.20
LogP ≤ 52.95
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-(3-fluorophenyl)-1-(1H-pyrrol-2-yl)ethanol?
The IUPAC name of (1R)-2,2,2-trifluoro-1-(3-fluorophenyl)-1-(1H-pyrrol-2-yl)ethanol (CID 162539790) is (1R)-2,2,2-trifluoro-1-(3-fluorophenyl)-1-(1H-pyrrol-2-yl)ethanol.
What is the SMILES notation for (1R)-2,2,2-trifluoro-1-(3-fluorophenyl)-1-(1H-pyrrol-2-yl)ethanol?
The canonical SMILES for (1R)-2,2,2-trifluoro-1-(3-fluorophenyl)-1-(1H-pyrrol-2-yl)ethanol is O[C@](c1cccc(F)c1)(c1ccc[nH]1)C(F)(F)F.
What is the InChIKey of (1R)-2,2,2-trifluoro-1-(3-fluorophenyl)-1-(1H-pyrrol-2-yl)ethanol?
The InChIKey is WUWLFYHNDDCSNQ-LLVKDONJSA-N. The full InChI is InChI=1S/C12H9F4NO/c13-9-4-1-3-8(7-9)11(18,12(14,15)16)10-5-2-6-17-10/h1-7,17-18H/t11-/m1/s1.
What are the key properties of (1R)-2,2,2-trifluoro-1-(3-fluorophenyl)-1-(1H-pyrrol-2-yl)ethanol?
(1R)-2,2,2-trifluoro-1-(3-fluorophenyl)-1-(1H-pyrrol-2-yl)ethanol has a molecular weight of 259.20 g/mol, XLogP of 2.95, 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-(3-fluorophenyl)-1-(1H-pyrrol-2-yl)ethanol is sourced from PubChem (CID 162539790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).