2,2-difluoro-N-(1-methyl-3-oxopyrazolidin-4-yl)acetamide

C6H9F2N3O2 — CID 126993068

IUPAC2,2-difluoro-N-(1-methyl-3-oxopyrazolidin-4-yl)acetamide
SMILESCN1CC(NC(=O)C(F)F)C(=O)N1
InChIInChI=1S/C6H9F2N3O2/c1-11-2-3(5(12)10-11)9-6(13)4(7)8/h3-4H,2H2,1H3,(H,9,13)(H,10,12)
InChIKeyDKJFVYQBBVJYAZ-UHFFFAOYSA-N
MW193.15 g/mol
LogP-1.29
Rot. Bonds2

About 2,2-difluoro-N-(1-methyl-3-oxopyrazolidin-4-yl)acetamide

2,2-difluoro-N-(1-methyl-3-oxopyrazolidin-4-yl)acetamide (PubChem CID 126993068) has the molecular formula C6H9F2N3O2 and a molecular weight of 193.15 g/mol. Its IUPAC name is 2,2-difluoro-N-(1-methyl-3-oxopyrazolidin-4-yl)acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-(1-methyl-3-oxopyrazolidin-4-yl)acetamide
PubChem CID126993068
Molecular FormulaC6H9F2N3O2
Molecular Weight193.15 g/mol
Exact Mass193.07
IUPAC Name2,2-difluoro-N-(1-methyl-3-oxopyrazolidin-4-yl)acetamide
SMILESCN1CC(NC(=O)C(F)F)C(=O)N1
InChIInChI=1S/C6H9F2N3O2/c1-11-2-3(5(12)10-11)9-6(13)4(7)8/h3-4H,2H2,1H3,(H,9,13)(H,10,12)
InChIKeyDKJFVYQBBVJYAZ-UHFFFAOYSA-N
XLogP-1.29
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.15
LogP ≤ 5-1.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Ethyl-5-(trifluoromethyl)pyrazolidin-3-one
CID 177692706
(4R)-1-(2,2,2-trifluoroacetyl)-4-(trimethylsilylamino)pyrazolidin-3-one
CID 18632343
(4S)-1-(2,2,2-trifluoroacetyl)-4-(trimethylsilylamino)pyrazolidin-3-one
CID 18632349
1-(2,2,2-Trifluoroacetyl)-4-(trimethylsilylamino)pyrazolidin-3-one
CID 21242239
2-Propyl-5-(trifluoromethyl)pyrazolidine-3,4-dione
CID 69881324
1-Isopropyl-3-trifluoromethyl4,5-pyrazolinedione
CID 69881490
1-Ethyl-3-trifluoromethyl-4,5-pyrazolinedione
CID 69881779
N-pyrrolidin-1-yl-2-[(2,2,2-trifluoroacetyl)amino]propanamide
CID 91220215
N-[1-[[2,2-difluoro-3-[2-(3-fluoropropanoyl)-2-(2-fluoropropanoylamino)hydrazinyl]-3-oxopropyl]amino]-3,3-difluoro-1-oxopropan-2-yl]-3,3,3-trifluoropropanamide
CID 123499794
[(4S)-3-oxo-1-(2,2,2-trifluoroacetyl)pyrazolidin-4-yl]carbamic acid
CID 146303982
[3-Oxo-1-(2,2,2-trifluoroacetyl)pyrazolidin-4-yl]carbamic acid
CID 146303984
2-hydrazinyl-2-oxo-N-(4,4,4-trifluorobutan-2-yl)acetamide
CID 105936580

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(1-methyl-3-oxopyrazolidin-4-yl)acetamide?
The IUPAC name of 2,2-difluoro-N-(1-methyl-3-oxopyrazolidin-4-yl)acetamide (CID 126993068) is 2,2-difluoro-N-(1-methyl-3-oxopyrazolidin-4-yl)acetamide.
What is the SMILES notation for 2,2-difluoro-N-(1-methyl-3-oxopyrazolidin-4-yl)acetamide?
The canonical SMILES for 2,2-difluoro-N-(1-methyl-3-oxopyrazolidin-4-yl)acetamide is CN1CC(NC(=O)C(F)F)C(=O)N1.
What is the InChIKey of 2,2-difluoro-N-(1-methyl-3-oxopyrazolidin-4-yl)acetamide?
The InChIKey is DKJFVYQBBVJYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2N3O2/c1-11-2-3(5(12)10-11)9-6(13)4(7)8/h3-4H,2H2,1H3,(H,9,13)(H,10,12).
What are the key properties of 2,2-difluoro-N-(1-methyl-3-oxopyrazolidin-4-yl)acetamide?
2,2-difluoro-N-(1-methyl-3-oxopyrazolidin-4-yl)acetamide has a molecular weight of 193.15 g/mol, XLogP of -1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(1-methyl-3-oxopyrazolidin-4-yl)acetamide is sourced from PubChem (CID 126993068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).