2,2,2-trifluoro-1-(1-methylpyrrol-2-yl)ethanol

C7H8F3NO — CID 14788370

IUPAC2,2,2-trifluoro-1-(1-methylpyrrol-2-yl)ethanol
SMILESCn1cccc1C(O)C(F)(F)F
InChIInChI=1S/C7H8F3NO/c1-11-4-2-3-5(11)6(12)7(8,9)10/h2-4,6,12H,1H3
InChIKeyZVHCLQOIMPXYKI-UHFFFAOYSA-N
MW179.14 g/mol
LogP1.62
Rot. Bonds1

About 2,2,2-trifluoro-1-(1-methylpyrrol-2-yl)ethanol

2,2,2-trifluoro-1-(1-methylpyrrol-2-yl)ethanol (PubChem CID 14788370) has the molecular formula C7H8F3NO and a molecular weight of 179.14 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(1-methylpyrrol-2-yl)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(1-methylpyrrol-2-yl)ethanol
PubChem CID14788370
Molecular FormulaC7H8F3NO
Molecular Weight179.14 g/mol
Exact Mass179.06
IUPAC Name2,2,2-trifluoro-1-(1-methylpyrrol-2-yl)ethanol
SMILESCn1cccc1C(O)C(F)(F)F
InChIInChI=1S/C7H8F3NO/c1-11-4-2-3-5(11)6(12)7(8,9)10/h2-4,6,12H,1H3
InChIKeyZVHCLQOIMPXYKI-UHFFFAOYSA-N
XLogP1.62
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.14
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(1-methylpyrrol-2-yl)ethanol?
The IUPAC name of 2,2,2-trifluoro-1-(1-methylpyrrol-2-yl)ethanol (CID 14788370) is 2,2,2-trifluoro-1-(1-methylpyrrol-2-yl)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-(1-methylpyrrol-2-yl)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-(1-methylpyrrol-2-yl)ethanol is Cn1cccc1C(O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(1-methylpyrrol-2-yl)ethanol?
The InChIKey is ZVHCLQOIMPXYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NO/c1-11-4-2-3-5(11)6(12)7(8,9)10/h2-4,6,12H,1H3.
What are the key properties of 2,2,2-trifluoro-1-(1-methylpyrrol-2-yl)ethanol?
2,2,2-trifluoro-1-(1-methylpyrrol-2-yl)ethanol has a molecular weight of 179.14 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(1-methylpyrrol-2-yl)ethanol is sourced from PubChem (CID 14788370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).