2,2-difluoro-N-(5-oxopyrrolidin-3-yl)acetamide

C6H8F2N2O2 — CID 107168203

IUPAC2,2-difluoro-N-(5-oxopyrrolidin-3-yl)acetamide
SMILESO=C1CC(NC(=O)C(F)F)CN1
InChIInChI=1S/C6H8F2N2O2/c7-5(8)6(12)10-3-1-4(11)9-2-3/h3,5H,1-2H2,(H,9,11)(H,10,12)
InChIKeyXOEIVLXHRLMMIE-UHFFFAOYSA-N
MW178.14 g/mol
LogP-0.74
Rot. Bonds2

About 2,2-difluoro-N-(5-oxopyrrolidin-3-yl)acetamide

2,2-difluoro-N-(5-oxopyrrolidin-3-yl)acetamide (PubChem CID 107168203) has the molecular formula C6H8F2N2O2 and a molecular weight of 178.14 g/mol. Its IUPAC name is 2,2-difluoro-N-(5-oxopyrrolidin-3-yl)acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-(5-oxopyrrolidin-3-yl)acetamide
PubChem CID107168203
Molecular FormulaC6H8F2N2O2
Molecular Weight178.14 g/mol
Exact Mass178.06
IUPAC Name2,2-difluoro-N-(5-oxopyrrolidin-3-yl)acetamide
SMILESO=C1CC(NC(=O)C(F)F)CN1
InChIInChI=1S/C6H8F2N2O2/c7-5(8)6(12)10-3-1-4(11)9-2-3/h3,5H,1-2H2,(H,9,11)(H,10,12)
InChIKeyXOEIVLXHRLMMIE-UHFFFAOYSA-N
XLogP-0.74
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.14
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-aminopyrrolidin-2-one
CID 12430456
4-Aminopyrrolidin-2-one
CID 13195064
(3R)-3-Aminopyrrolidin-2-one
CID 21969418
3-Aminopyrrolidin-2-one
CID 10486805
3-(Trifluoroacetamido)pyrrolidine Hydrochloride
CID 2760698
(3R)-(+)-3-(Trifluoroacetamido)pyrrolidine Hydrochloride
CID 42614570
AC1Odwrv
CID 7022081
(3S)-(-)-3-(Trifluoroacetamido)pyrrolidine Hydrochloride
CID 42614571
3-Amino-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 54592868
3-(Methylamino)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 54592921
4-Aminopyrrolidin-2-one hydrochloride
CID 67085274
(R)-4-Aminopyrrolidin-2-one hydrochloride
CID 73357364

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(5-oxopyrrolidin-3-yl)acetamide?
The IUPAC name of 2,2-difluoro-N-(5-oxopyrrolidin-3-yl)acetamide (CID 107168203) is 2,2-difluoro-N-(5-oxopyrrolidin-3-yl)acetamide.
What is the SMILES notation for 2,2-difluoro-N-(5-oxopyrrolidin-3-yl)acetamide?
The canonical SMILES for 2,2-difluoro-N-(5-oxopyrrolidin-3-yl)acetamide is O=C1CC(NC(=O)C(F)F)CN1.
What is the InChIKey of 2,2-difluoro-N-(5-oxopyrrolidin-3-yl)acetamide?
The InChIKey is XOEIVLXHRLMMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N2O2/c7-5(8)6(12)10-3-1-4(11)9-2-3/h3,5H,1-2H2,(H,9,11)(H,10,12).
What are the key properties of 2,2-difluoro-N-(5-oxopyrrolidin-3-yl)acetamide?
2,2-difluoro-N-(5-oxopyrrolidin-3-yl)acetamide has a molecular weight of 178.14 g/mol, XLogP of -0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(5-oxopyrrolidin-3-yl)acetamide is sourced from PubChem (CID 107168203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).