[1-(2,2-difluoroethyl)pyrrol-2-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone

C13H19F2N3O — CID 114610241

IUPAC[1-(2,2-difluoroethyl)pyrrol-2-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
SMILESCNCC1CCN(C(=O)c2cccn2CC(F)F)C1
InChIInChI=1S/C13H19F2N3O/c1-16-7-10-4-6-18(8-10)13(19)11-3-2-5-17(11)9-12(14)15/h2-3,5,10,12,16H,4,6-9H2,1H3
InChIKeyKCJMMYHSMYBZBA-UHFFFAOYSA-N
MW271.31 g/mol
LogP1.43
Rot. Bonds5

About [1-(2,2-difluoroethyl)pyrrol-2-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone

[1-(2,2-difluoroethyl)pyrrol-2-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone (PubChem CID 114610241) has the molecular formula C13H19F2N3O and a molecular weight of 271.31 g/mol. Its IUPAC name is [1-(2,2-difluoroethyl)pyrrol-2-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(2,2-difluoroethyl)pyrrol-2-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
PubChem CID114610241
Molecular FormulaC13H19F2N3O
Molecular Weight271.31 g/mol
Exact Mass271.15
IUPAC Name[1-(2,2-difluoroethyl)pyrrol-2-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
SMILESCNCC1CCN(C(=O)c2cccn2CC(F)F)C1
InChIInChI=1S/C13H19F2N3O/c1-16-7-10-4-6-18(8-10)13(19)11-3-2-5-17(11)9-12(14)15/h2-3,5,10,12,16H,4,6-9H2,1H3
InChIKeyKCJMMYHSMYBZBA-UHFFFAOYSA-N
XLogP1.43
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-(2,2-difluoroethyl)pyrrol-2-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone 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

(4-fluorophenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 63264042
[4-(methylaminomethyl)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 63250656
(1-ethylpyrrol-2-yl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone
CID 63240558
[2-(1-aminoethyl)morpholin-4-yl]-[1-(2,2-difluoroethyl)pyrrol-2-yl]methanone
CID 114610612
2,2-difluoro-1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 103514154
[3-(methylaminomethyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 63263775
[(3S)-3-aminopyrrolidin-1-yl]-(1-propylpyrrol-2-yl)methanone
CID 94339941
[4-(ethylaminomethyl)piperidin-1-yl]-(1-ethylpyrrol-2-yl)methanone
CID 80552636
[4-(4-fluorophenyl)-1H-pyrrol-3-yl]-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124613150
(4-iodophenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 55168665
[3-(methylaminomethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone;hydrochloride
CID 119542048
2-[2-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrol-1-yl]acetic acid
CID 114799242

Frequently Asked Questions

What is the IUPAC name of [1-(2,2-difluoroethyl)pyrrol-2-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [1-(2,2-difluoroethyl)pyrrol-2-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone (CID 114610241) is [1-(2,2-difluoroethyl)pyrrol-2-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [1-(2,2-difluoroethyl)pyrrol-2-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [1-(2,2-difluoroethyl)pyrrol-2-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone is CNCC1CCN(C(=O)c2cccn2CC(F)F)C1.
What is the InChIKey of [1-(2,2-difluoroethyl)pyrrol-2-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone?
The InChIKey is KCJMMYHSMYBZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N3O/c1-16-7-10-4-6-18(8-10)13(19)11-3-2-5-17(11)9-12(14)15/h2-3,5,10,12,16H,4,6-9H2,1H3.
What are the key properties of [1-(2,2-difluoroethyl)pyrrol-2-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone?
[1-(2,2-difluoroethyl)pyrrol-2-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone has a molecular weight of 271.31 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2-difluoroethyl)pyrrol-2-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 114610241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).