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

C6H6F3NO — CID 11789560

IUPAC2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethanol
SMILESOC(c1ccc[nH]1)C(F)(F)F
InChIInChI=1S/C6H6F3NO/c7-6(8,9)5(11)4-2-1-3-10-4/h1-3,5,10-11H
InChIKeyKHICFDIULXLQAY-UHFFFAOYSA-N
MW165.11 g/mol
LogP1.61
Rot. Bonds1

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

2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethanol (PubChem CID 11789560) 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-2-yl)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethanol
PubChem CID11789560
Molecular FormulaC6H6F3NO
Molecular Weight165.11 g/mol
Exact Mass165.04
IUPAC Name2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethanol
SMILESOC(c1ccc[nH]1)C(F)(F)F
InChIInChI=1S/C6H6F3NO/c7-6(8,9)5(11)4-2-1-3-10-4/h1-3,5,10-11H
InChIKeyKHICFDIULXLQAY-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

Pyrrole-2-ethanol
CID 281818
(1H-pyrrol-2-yl)methanol
CID 11073348
(Z)-4,4,5,5,5-pentafluoro-1-hydroxy-1-(1H-pyrrol-2-yl)pent-1-en-3-one
CID 162656572
1-Methyl-1H-pyrrole-2-methanol
CID 148557
1H-Pyrrol-2-yl(perfluoropropyl)methanol
CID 10400615
2,2,2-Trifluoro-1-(pyridin-2-yl)ethan-1-ol
CID 13742926
2-amino-1-(1-methyl-1H-pyrrol-2-yl)ethan-1-ol
CID 16767868
2-(2-Amino-1-hydroxyethyl)pyridine
CID 3853779
1,1,1-trifluoro-3-phenyl-2-(1H-pyrrol-2-yl)propan-2-ol
CID 155930037
1-Methyl-alpha-(trifluoromethyl)-1H-pyrrole-2-methanol
CID 14788370
(1-(difluoromethyl)-1H-pyrrol-2-yl)methanol
CID 66399944
3,3,3-Trifluoro-2-(pyrrol-2-yl)-propane-1,2-diol
CID 85816204

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethanol?
The IUPAC name of 2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethanol (CID 11789560) is 2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethanol is OC(c1ccc[nH]1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethanol?
The InChIKey is KHICFDIULXLQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3NO/c7-6(8,9)5(11)4-2-1-3-10-4/h1-3,5,10-11H.
What are the key properties of 2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethanol?
2,2,2-trifluoro-1-(1H-pyrrol-2-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-2-yl)ethanol is sourced from PubChem (CID 11789560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).