(1R)-1-(3,4-difluorophenyl)-2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethanol

C12H8F5NO — CID 134942002

IUPAC(1R)-1-(3,4-difluorophenyl)-2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethanol
SMILESO[C@](c1ccc(F)c(F)c1)(c1ccc[nH]1)C(F)(F)F
InChIInChI=1S/C12H8F5NO/c13-8-4-3-7(6-9(8)14)11(19,12(15,16)17)10-2-1-5-18-10/h1-6,18-19H/t11-/m1/s1
InChIKeyVKDRVWKFMDLODV-LLVKDONJSA-N
MW277.19 g/mol
LogP3.09
Rot. Bonds2

About (1R)-1-(3,4-difluorophenyl)-2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethanol

(1R)-1-(3,4-difluorophenyl)-2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethanol (PubChem CID 134942002) has the molecular formula C12H8F5NO and a molecular weight of 277.19 g/mol. Its IUPAC name is (1R)-1-(3,4-difluorophenyl)-2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethanol.

Molecular Properties

Compound Name(1R)-1-(3,4-difluorophenyl)-2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethanol
PubChem CID134942002
Molecular FormulaC12H8F5NO
Molecular Weight277.19 g/mol
Exact Mass277.05
IUPAC Name(1R)-1-(3,4-difluorophenyl)-2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethanol
SMILESO[C@](c1ccc(F)c(F)c1)(c1ccc[nH]1)C(F)(F)F
InChIInChI=1S/C12H8F5NO/c13-8-4-3-7(6-9(8)14)11(19,12(15,16)17)10-2-1-5-18-10/h1-6,18-19H/t11-/m1/s1
InChIKeyVKDRVWKFMDLODV-LLVKDONJSA-N
XLogP3.09
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.19
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3,4-difluorophenyl)-2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethanol?
The IUPAC name of (1R)-1-(3,4-difluorophenyl)-2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethanol (CID 134942002) is (1R)-1-(3,4-difluorophenyl)-2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethanol.
What is the SMILES notation for (1R)-1-(3,4-difluorophenyl)-2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethanol?
The canonical SMILES for (1R)-1-(3,4-difluorophenyl)-2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethanol is O[C@](c1ccc(F)c(F)c1)(c1ccc[nH]1)C(F)(F)F.
What is the InChIKey of (1R)-1-(3,4-difluorophenyl)-2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethanol?
The InChIKey is VKDRVWKFMDLODV-LLVKDONJSA-N. The full InChI is InChI=1S/C12H8F5NO/c13-8-4-3-7(6-9(8)14)11(19,12(15,16)17)10-2-1-5-18-10/h1-6,18-19H/t11-/m1/s1.
What are the key properties of (1R)-1-(3,4-difluorophenyl)-2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethanol?
(1R)-1-(3,4-difluorophenyl)-2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethanol has a molecular weight of 277.19 g/mol, XLogP of 3.09, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3,4-difluorophenyl)-2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethanol is sourced from PubChem (CID 134942002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).