3-(2,2-difluoroethyl)pyrrolidin-2-one

C6H9F2NO — CID 67255837

IUPAC3-(2,2-difluoroethyl)pyrrolidin-2-one
SMILESO=C1NCCC1CC(F)F
InChIInChI=1S/C6H9F2NO/c7-5(8)3-4-1-2-9-6(4)10/h4-5H,1-3H2,(H,9,10)
InChIKeyNRXDQIOULAVZNT-UHFFFAOYSA-N
MW149.14 g/mol
LogP0.78
Rot. Bonds2

About 3-(2,2-difluoroethyl)pyrrolidin-2-one

3-(2,2-difluoroethyl)pyrrolidin-2-one (PubChem CID 67255837) has the molecular formula C6H9F2NO and a molecular weight of 149.14 g/mol. Its IUPAC name is 3-(2,2-difluoroethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(2,2-difluoroethyl)pyrrolidin-2-one
PubChem CID67255837
Molecular FormulaC6H9F2NO
Molecular Weight149.14 g/mol
Exact Mass149.07
IUPAC Name3-(2,2-difluoroethyl)pyrrolidin-2-one
SMILESO=C1NCCC1CC(F)F
InChIInChI=1S/C6H9F2NO/c7-5(8)3-4-1-2-9-6(4)10/h4-5H,1-3H2,(H,9,10)
InChIKeyNRXDQIOULAVZNT-UHFFFAOYSA-N
XLogP0.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.14
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethyl)pyrrolidin-2-one?
The IUPAC name of 3-(2,2-difluoroethyl)pyrrolidin-2-one (CID 67255837) is 3-(2,2-difluoroethyl)pyrrolidin-2-one.
What is the SMILES notation for 3-(2,2-difluoroethyl)pyrrolidin-2-one?
The canonical SMILES for 3-(2,2-difluoroethyl)pyrrolidin-2-one is O=C1NCCC1CC(F)F.
What is the InChIKey of 3-(2,2-difluoroethyl)pyrrolidin-2-one?
The InChIKey is NRXDQIOULAVZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NO/c7-5(8)3-4-1-2-9-6(4)10/h4-5H,1-3H2,(H,9,10).
What are the key properties of 3-(2,2-difluoroethyl)pyrrolidin-2-one?
3-(2,2-difluoroethyl)pyrrolidin-2-one has a molecular weight of 149.14 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethyl)pyrrolidin-2-one is sourced from PubChem (CID 67255837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).