2-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]ethanol

C8H15F2NO — CID 115648045

IUPAC2-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]ethanol
SMILESOCCC1CCN(CC(F)F)C1
InChIInChI=1S/C8H15F2NO/c9-8(10)6-11-3-1-7(5-11)2-4-12/h7-8,12H,1-6H2
InChIKeyJEYDSXILJXSQLP-UHFFFAOYSA-N
MW179.21 g/mol
LogP0.96
Rot. Bonds4

About 2-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]ethanol

2-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]ethanol (PubChem CID 115648045) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is 2-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]ethanol
PubChem CID115648045
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name2-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]ethanol
SMILESOCCC1CCN(CC(F)F)C1
InChIInChI=1S/C8H15F2NO/c9-8(10)6-11-3-1-7(5-11)2-4-12/h7-8,12H,1-6H2
InChIKeyJEYDSXILJXSQLP-UHFFFAOYSA-N
XLogP0.96
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-Methylpyrrolidin-3-yl)ethan-1-ol
CID 21191123
2,2-Difluoro-2-(pyrrolidin-3-yl)ethan-1-ol
CID 60006963
4,4-Difluoro-5-(pyrrolidin-1-yl)pentan-1-ol
CID 69672278
2-[(3R)-2,2-difluoropyrrolidin-3-yl]ethanol
CID 91602738
2,2-Difluoro-2-(1-methylpyrrolidin-3-yl)ethanol
CID 105432623
[(1R,5S)-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol
CID 131061530
[3-(2,2,2-Trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol
CID 167468149
[(2S)-3-(difluoromethyl)-1-methylpyrrolidin-2-yl]methanol
CID 168881104
[(2S)-1-methyl-3-(trifluoromethyl)pyrrolidin-2-yl]methanol
CID 168881577
[(2R,3R)-3-(difluoromethyl)-1,2-dimethylpyrrolidin-2-yl]methanol
CID 169131305
[1-(3,3,3-Trifluoropropyl)pyrrolidin-3-yl]methanol
CID 64567803
[3-Methyl-1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]methanol
CID 102787836

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]ethanol (CID 115648045) is 2-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]ethanol is OCCC1CCN(CC(F)F)C1.
What is the InChIKey of 2-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]ethanol?
The InChIKey is JEYDSXILJXSQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c9-8(10)6-11-3-1-7(5-11)2-4-12/h7-8,12H,1-6H2.
What are the key properties of 2-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]ethanol?
2-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]ethanol has a molecular weight of 179.21 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 115648045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).