N'-(2,5-difluorophenyl)pyrrolidine-1-carboximidamide

C11H13F2N3 — CID 19599263

IUPACN'-(2,5-difluorophenyl)pyrrolidine-1-carboximidamide
SMILESN/C(=N\c1cc(F)ccc1F)N1CCCC1
InChIInChI=1S/C11H13F2N3/c12-8-3-4-9(13)10(7-8)15-11(14)16-5-1-2-6-16/h3-4,7H,1-2,5-6H2,(H2,14,15)
InChIKeyXSSNVCHINWTBKS-UHFFFAOYSA-N
MW225.24 g/mol
LogP2.01
Rot. Bonds1

About N'-(2,5-difluorophenyl)pyrrolidine-1-carboximidamide

N'-(2,5-difluorophenyl)pyrrolidine-1-carboximidamide (PubChem CID 19599263) has the molecular formula C11H13F2N3 and a molecular weight of 225.24 g/mol. Its IUPAC name is N'-(2,5-difluorophenyl)pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-(2,5-difluorophenyl)pyrrolidine-1-carboximidamide
PubChem CID19599263
Molecular FormulaC11H13F2N3
Molecular Weight225.24 g/mol
Exact Mass225.11
IUPAC NameN'-(2,5-difluorophenyl)pyrrolidine-1-carboximidamide
SMILESN/C(=N\c1cc(F)ccc1F)N1CCCC1
InChIInChI=1S/C11H13F2N3/c12-8-3-4-9(13)10(7-8)15-11(14)16-5-1-2-6-16/h3-4,7H,1-2,5-6H2,(H2,14,15)
InChIKeyXSSNVCHINWTBKS-UHFFFAOYSA-N
XLogP2.01
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-[N'-(2,4-difluorophenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride
CID 141426650
N'-[N'-(3-fluorophenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride
CID 141426730
4-(2,5-difluorophenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 109451122
1-(2,5-difluorophenyl)-2-piperidin-1-ylethane-1,2-dione
CID 82119806
N'-(3-chlorophenyl)pyrrolidine-1-carboximidamide
CID 89339520
N'-[(5-bromo-2-fluorophenyl)methyl]pyrrolidine-1-carboximidamide
CID 75493910
N'-[(2,5-difluorophenyl)methyl]morpholine-4-carboximidamide
CID 111800968
N'-[(2,5-difluorophenyl)methyl]thiomorpholine-4-carboximidamide
CID 111801004
N'-[(3-chloro-4-fluorophenyl)methyl]piperidine-1-carboximidamide
CID 111045730
N-(2-carbamimidoyl-4-fluorophenyl)azepane-1-carboxamide
CID 82684682
(2-amino-4-fluorophenyl)-(azocan-1-yl)methanone
CID 55139020
2-(azetidine-1-carbonyl)-5-fluorobenzamide
CID 70098132

Frequently Asked Questions

What is the IUPAC name of N'-(2,5-difluorophenyl)pyrrolidine-1-carboximidamide?
The IUPAC name of N'-(2,5-difluorophenyl)pyrrolidine-1-carboximidamide (CID 19599263) is N'-(2,5-difluorophenyl)pyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-(2,5-difluorophenyl)pyrrolidine-1-carboximidamide?
The canonical SMILES for N'-(2,5-difluorophenyl)pyrrolidine-1-carboximidamide is N/C(=N\c1cc(F)ccc1F)N1CCCC1.
What is the InChIKey of N'-(2,5-difluorophenyl)pyrrolidine-1-carboximidamide?
The InChIKey is XSSNVCHINWTBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N3/c12-8-3-4-9(13)10(7-8)15-11(14)16-5-1-2-6-16/h3-4,7H,1-2,5-6H2,(H2,14,15).
What are the key properties of N'-(2,5-difluorophenyl)pyrrolidine-1-carboximidamide?
N'-(2,5-difluorophenyl)pyrrolidine-1-carboximidamide has a molecular weight of 225.24 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-difluorophenyl)pyrrolidine-1-carboximidamide is sourced from PubChem (CID 19599263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).