2,2-difluoro-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone

C8H13F2NO2 — CID 103513980

IUPAC2,2-difluoro-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone
SMILESCC(O)C1CCN(C(=O)C(F)F)C1
InChIInChI=1S/C8H13F2NO2/c1-5(12)6-2-3-11(4-6)8(13)7(9)10/h5-7,12H,2-4H2,1H3
InChIKeyMXWDWSHDBOQWHH-UHFFFAOYSA-N
MW193.19 g/mol
LogP0.48
Rot. Bonds2

About 2,2-difluoro-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone

2,2-difluoro-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone (PubChem CID 103513980) has the molecular formula C8H13F2NO2 and a molecular weight of 193.19 g/mol. Its IUPAC name is 2,2-difluoro-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2,2-difluoro-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone
PubChem CID103513980
Molecular FormulaC8H13F2NO2
Molecular Weight193.19 g/mol
Exact Mass193.09
IUPAC Name2,2-difluoro-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone
SMILESCC(O)C1CCN(C(=O)C(F)F)C1
InChIInChI=1S/C8H13F2NO2/c1-5(12)6-2-3-11(4-6)8(13)7(9)10/h5-7,12H,2-4H2,1H3
InChIKeyMXWDWSHDBOQWHH-UHFFFAOYSA-N
XLogP0.48
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2,2-difluoro-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone (CID 103513980) is 2,2-difluoro-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2,2-difluoro-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2,2-difluoro-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone is CC(O)C1CCN(C(=O)C(F)F)C1.
What is the InChIKey of 2,2-difluoro-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone?
The InChIKey is MXWDWSHDBOQWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO2/c1-5(12)6-2-3-11(4-6)8(13)7(9)10/h5-7,12H,2-4H2,1H3.
What are the key properties of 2,2-difluoro-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone?
2,2-difluoro-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone has a molecular weight of 193.19 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 103513980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).