[4,4-difluoro-1-[2-(propanoylamino)acetyl]pyrrolidin-2-yl]methanesulfonyl fluoride

C10H15F3N2O4S — CID 170590204

IUPAC[4,4-difluoro-1-[2-(propanoylamino)acetyl]pyrrolidin-2-yl]methanesulfonyl fluoride
SMILESCCC(=O)NCC(=O)N1CC(F)(F)CC1CS(=O)(=O)F
InChIInChI=1S/C10H15F3N2O4S/c1-2-8(16)14-4-9(17)15-6-10(11,12)3-7(15)5-20(13,18)19/h7H,2-6H2,1H3,(H,14,16)
InChIKeyQSFZBOJNBSZSEO-UHFFFAOYSA-N
MW316.30 g/mol
LogP0.05
Rot. Bonds5

About [4,4-difluoro-1-[2-(propanoylamino)acetyl]pyrrolidin-2-yl]methanesulfonyl fluoride

[4,4-difluoro-1-[2-(propanoylamino)acetyl]pyrrolidin-2-yl]methanesulfonyl fluoride (PubChem CID 170590204) has the molecular formula C10H15F3N2O4S and a molecular weight of 316.30 g/mol. Its IUPAC name is [4,4-difluoro-1-[2-(propanoylamino)acetyl]pyrrolidin-2-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[4,4-difluoro-1-[2-(propanoylamino)acetyl]pyrrolidin-2-yl]methanesulfonyl fluoride
PubChem CID170590204
Molecular FormulaC10H15F3N2O4S
Molecular Weight316.30 g/mol
Exact Mass316.07
IUPAC Name[4,4-difluoro-1-[2-(propanoylamino)acetyl]pyrrolidin-2-yl]methanesulfonyl fluoride
SMILESCCC(=O)NCC(=O)N1CC(F)(F)CC1CS(=O)(=O)F
InChIInChI=1S/C10H15F3N2O4S/c1-2-8(16)14-4-9(17)15-6-10(11,12)3-7(15)5-20(13,18)19/h7H,2-6H2,1H3,(H,14,16)
InChIKeyQSFZBOJNBSZSEO-UHFFFAOYSA-N
XLogP0.05
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.30
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4,4-difluoro-1-[2-(propanoylamino)acetyl]pyrrolidin-2-yl]methanesulfonyl fluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-amino-5-oxo-5-pyrrolidin-1-ylpentyl)-2,2,2-trifluoroethanesulfonamide
CID 22732196
N-[(2S)-6-amino-1-oxo-1-pyrrolidin-1-ylhexan-2-yl]-4-(2,2,2-trifluoroethylsulfonylamino)butanamide
CID 54047484
N-[(4S)-4-amino-5-oxo-5-pyrrolidin-1-ylpentyl]-2,2,2-trifluoroethanesulfonamide
CID 69891265
2-[[1-(2,2-Difluoropropyl)pyrrolidine-2-carbonyl]amino]-1,1-difluoroethanesulfonic acid
CID 174135361
1,1,2,2,3,3-Hexafluoro-4-[[1-(2,2,3,3,4,4-hexafluoropentyl)pyrrolidine-2-carbonyl]amino]butane-1-sulfonic acid
CID 174135362
[(2S)-1-(2-aminoacetyl)-4,4-difluoropyrrolidin-2-yl]methanesulfonyl fluoride
CID 174146157
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4,4,4-trifluoro-N-methylbutanamide
CID 175988361
[1-(2-Aminoacetyl)-4,4-difluoropyrrolidin-2-yl]methanesulfonyl fluoride
CID 177133705
1-[4,4-Difluoro-2-[(fluorosulfonimidoyl)methyl]pyrrolidin-1-yl]-2-(methylamino)ethanone
CID 177168531
1-[4,4-Difluoro-2-(fluorosulfonimidoyl)carbonylpyrrolidin-1-yl]-2-(methylamino)ethanone
CID 177168573
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 49073201
1-methylsulfonyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 51075767

Frequently Asked Questions

What is the IUPAC name of [4,4-difluoro-1-[2-(propanoylamino)acetyl]pyrrolidin-2-yl]methanesulfonyl fluoride?
The IUPAC name of [4,4-difluoro-1-[2-(propanoylamino)acetyl]pyrrolidin-2-yl]methanesulfonyl fluoride (CID 170590204) is [4,4-difluoro-1-[2-(propanoylamino)acetyl]pyrrolidin-2-yl]methanesulfonyl fluoride.
What is the SMILES notation for [4,4-difluoro-1-[2-(propanoylamino)acetyl]pyrrolidin-2-yl]methanesulfonyl fluoride?
The canonical SMILES for [4,4-difluoro-1-[2-(propanoylamino)acetyl]pyrrolidin-2-yl]methanesulfonyl fluoride is CCC(=O)NCC(=O)N1CC(F)(F)CC1CS(=O)(=O)F.
What is the InChIKey of [4,4-difluoro-1-[2-(propanoylamino)acetyl]pyrrolidin-2-yl]methanesulfonyl fluoride?
The InChIKey is QSFZBOJNBSZSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O4S/c1-2-8(16)14-4-9(17)15-6-10(11,12)3-7(15)5-20(13,18)19/h7H,2-6H2,1H3,(H,14,16).
What are the key properties of [4,4-difluoro-1-[2-(propanoylamino)acetyl]pyrrolidin-2-yl]methanesulfonyl fluoride?
[4,4-difluoro-1-[2-(propanoylamino)acetyl]pyrrolidin-2-yl]methanesulfonyl fluoride has a molecular weight of 316.30 g/mol, XLogP of 0.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4,4-difluoro-1-[2-(propanoylamino)acetyl]pyrrolidin-2-yl]methanesulfonyl fluoride is sourced from PubChem (CID 170590204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).