1-(2,2-difluoroacetyl)-3-fluoropyrrolidine-3-carbonitrile

C7H7F3N2O — CID 131084206

IUPAC1-(2,2-difluoroacetyl)-3-fluoropyrrolidine-3-carbonitrile
SMILESN#CC1(F)CCN(C(=O)C(F)F)C1
InChIInChI=1S/C7H7F3N2O/c8-5(9)6(13)12-2-1-7(10,3-11)4-12/h5H,1-2,4H2
InChIKeyNYUKBNJNPWBKLI-UHFFFAOYSA-N
MW192.14 g/mol
LogP0.72
Rot. Bonds1

About 1-(2,2-difluoroacetyl)-3-fluoropyrrolidine-3-carbonitrile

1-(2,2-difluoroacetyl)-3-fluoropyrrolidine-3-carbonitrile (PubChem CID 131084206) has the molecular formula C7H7F3N2O and a molecular weight of 192.14 g/mol. Its IUPAC name is 1-(2,2-difluoroacetyl)-3-fluoropyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name1-(2,2-difluoroacetyl)-3-fluoropyrrolidine-3-carbonitrile
PubChem CID131084206
Molecular FormulaC7H7F3N2O
Molecular Weight192.14 g/mol
Exact Mass192.05
IUPAC Name1-(2,2-difluoroacetyl)-3-fluoropyrrolidine-3-carbonitrile
SMILESN#CC1(F)CCN(C(=O)C(F)F)C1
InChIInChI=1S/C7H7F3N2O/c8-5(9)6(13)12-2-1-7(10,3-11)4-12/h5H,1-2,4H2
InChIKeyNYUKBNJNPWBKLI-UHFFFAOYSA-N
XLogP0.72
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.14
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2,2-difluoroacetyl)-3-fluoropyrrolidine-3-carbonitrile 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

3-fluoro-1-[(2R)-2-hydroxypropanoyl]pyrrolidine-3-carbonitrile
CID 130735483
1-acetyl-3-fluoropyrrolidine-3-carbonitrile
CID 126758837
N-[1-(3-cyano-3-fluoropyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl]acetamide
CID 123834584
3-cyano-3-fluoro-N,N-dimethylpyrrolidine-1-carboxamide
CID 126992140
1-(2,2-difluoroacetyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 103513279
2,2-difluoro-1-(3-methoxy-3-methylpyrrolidin-1-yl)ethanone
CID 130590982
2,2-difluoro-1-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 130681789
1-(2,2-difluoroacetyl)-4-methylpiperidine-4-carboxylic acid
CID 103513272
2,2-difluoro-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone
CID 107395949
3-fluoro-1-(2-methylpropyl)pyrrolidine-3-carbonitrile
CID 131134151
1-(4-ethynylpiperidin-1-yl)-2,2-difluoroethanone
CID 126598081
1-(3,3-dimethylpyrrolidin-1-yl)-2-methylpropan-1-one;ethane
CID 177053716

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroacetyl)-3-fluoropyrrolidine-3-carbonitrile?
The IUPAC name of 1-(2,2-difluoroacetyl)-3-fluoropyrrolidine-3-carbonitrile (CID 131084206) is 1-(2,2-difluoroacetyl)-3-fluoropyrrolidine-3-carbonitrile.
What is the SMILES notation for 1-(2,2-difluoroacetyl)-3-fluoropyrrolidine-3-carbonitrile?
The canonical SMILES for 1-(2,2-difluoroacetyl)-3-fluoropyrrolidine-3-carbonitrile is N#CC1(F)CCN(C(=O)C(F)F)C1.
What is the InChIKey of 1-(2,2-difluoroacetyl)-3-fluoropyrrolidine-3-carbonitrile?
The InChIKey is NYUKBNJNPWBKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O/c8-5(9)6(13)12-2-1-7(10,3-11)4-12/h5H,1-2,4H2.
What are the key properties of 1-(2,2-difluoroacetyl)-3-fluoropyrrolidine-3-carbonitrile?
1-(2,2-difluoroacetyl)-3-fluoropyrrolidine-3-carbonitrile has a molecular weight of 192.14 g/mol, XLogP of 0.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroacetyl)-3-fluoropyrrolidine-3-carbonitrile is sourced from PubChem (CID 131084206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).