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

C6H7F2NO — CID 116841151

IUPAC2,2-difluoro-2-(1H-pyrrol-3-yl)ethanol
SMILESOCC(F)(F)c1cc[nH]c1
InChIInChI=1S/C6H7F2NO/c7-6(8,4-10)5-1-2-9-3-5/h1-3,9-10H,4H2
InChIKeyPPALCHCLXJZPJQ-UHFFFAOYSA-N
MW147.12 g/mol
LogP1.10
Rot. Bonds2

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

2,2-difluoro-2-(1H-pyrrol-3-yl)ethanol (PubChem CID 116841151) has the molecular formula C6H7F2NO and a molecular weight of 147.12 g/mol. Its IUPAC name is 2,2-difluoro-2-(1H-pyrrol-3-yl)ethanol.

Molecular Properties

Compound Name2,2-difluoro-2-(1H-pyrrol-3-yl)ethanol
PubChem CID116841151
Molecular FormulaC6H7F2NO
Molecular Weight147.12 g/mol
Exact Mass147.05
IUPAC Name2,2-difluoro-2-(1H-pyrrol-3-yl)ethanol
SMILESOCC(F)(F)c1cc[nH]c1
InChIInChI=1S/C6H7F2NO/c7-6(8,4-10)5-1-2-9-3-5/h1-3,9-10H,4H2
InChIKeyPPALCHCLXJZPJQ-UHFFFAOYSA-N
XLogP1.10
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.12
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(1H-pyrrol-3-yl)ethanol?
The IUPAC name of 2,2-difluoro-2-(1H-pyrrol-3-yl)ethanol (CID 116841151) is 2,2-difluoro-2-(1H-pyrrol-3-yl)ethanol.
What is the SMILES notation for 2,2-difluoro-2-(1H-pyrrol-3-yl)ethanol?
The canonical SMILES for 2,2-difluoro-2-(1H-pyrrol-3-yl)ethanol is OCC(F)(F)c1cc[nH]c1.
What is the InChIKey of 2,2-difluoro-2-(1H-pyrrol-3-yl)ethanol?
The InChIKey is PPALCHCLXJZPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2NO/c7-6(8,4-10)5-1-2-9-3-5/h1-3,9-10H,4H2.
What are the key properties of 2,2-difluoro-2-(1H-pyrrol-3-yl)ethanol?
2,2-difluoro-2-(1H-pyrrol-3-yl)ethanol has a molecular weight of 147.12 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(1H-pyrrol-3-yl)ethanol is sourced from PubChem (CID 116841151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).