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

C6H6F3NO — CID 57116153

IUPAC2,2,2-trifluoro-1-(1H-pyrrol-3-yl)ethanol
SMILESOC(c1cc[nH]c1)C(F)(F)F
InChIInChI=1S/C6H6F3NO/c7-6(8,9)5(11)4-1-2-10-3-4/h1-3,5,10-11H
InChIKeyYDXKUHAXKMPJHI-UHFFFAOYSA-N
MW165.11 g/mol
LogP1.61
Rot. Bonds1

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

2,2,2-trifluoro-1-(1H-pyrrol-3-yl)ethanol (PubChem CID 57116153) has the molecular formula C6H6F3NO and a molecular weight of 165.11 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(1H-pyrrol-3-yl)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(1H-pyrrol-3-yl)ethanol
PubChem CID57116153
Molecular FormulaC6H6F3NO
Molecular Weight165.11 g/mol
Exact Mass165.04
IUPAC Name2,2,2-trifluoro-1-(1H-pyrrol-3-yl)ethanol
SMILESOC(c1cc[nH]c1)C(F)(F)F
InChIInChI=1S/C6H6F3NO/c7-6(8,9)5(11)4-1-2-10-3-4/h1-3,5,10-11H
InChIKeyYDXKUHAXKMPJHI-UHFFFAOYSA-N
XLogP1.61
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.11
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(1H-Pyrrol-3-yl)methanol
CID 21983502
1H-pyrrol-3-yl-[4-(trifluoromethyl)phenyl]methanol
CID 63750000
1-(1-Ethylpyrrol-3-yl)-2,2,2-trifluoroethanol
CID 81604002
1,2,2,3,3,4,4-heptafluoro-1-(1H-pyrrol-3-yl)butan-1-ol
CID 88305356
1,2,2,3,4,4,4-heptafluoro-1-(1H-pyrrol-3-yl)butan-1-ol
CID 88305358
[1,2,2,3,3,4,4-heptafluoro-1-(1H-pyrrol-3-yl)butoxy]-trimethylsilane
CID 88334097
1-(1-Tert-butylpyrrol-3-yl)-2,2,2-trifluoroethanol
CID 166572690
Pyrrole-3-ethanol
CID 287071
1-(1H-pyrrol-3-yl)ethane-1,2-diol
CID 82280055
1-(5-methyl-1H-pyrrol-3-yl)ethanol
CID 164681069
1,1,1,3,3,3-Hexafluoro-2-(1-methylpyrrol-3-yl)propan-2-ol
CID 12910759
3-amino-1,1,1-trifluoro-2-(1H-pyrrol-3-yl)propan-2-ol
CID 47003441

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(1H-pyrrol-3-yl)ethanol?
The IUPAC name of 2,2,2-trifluoro-1-(1H-pyrrol-3-yl)ethanol (CID 57116153) is 2,2,2-trifluoro-1-(1H-pyrrol-3-yl)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-(1H-pyrrol-3-yl)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-(1H-pyrrol-3-yl)ethanol is OC(c1cc[nH]c1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(1H-pyrrol-3-yl)ethanol?
The InChIKey is YDXKUHAXKMPJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3NO/c7-6(8,9)5(11)4-1-2-10-3-4/h1-3,5,10-11H.
What are the key properties of 2,2,2-trifluoro-1-(1H-pyrrol-3-yl)ethanol?
2,2,2-trifluoro-1-(1H-pyrrol-3-yl)ethanol has a molecular weight of 165.11 g/mol, XLogP of 1.61, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(1H-pyrrol-3-yl)ethanol is sourced from PubChem (CID 57116153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).