2-fluoro-6-pyrrolidin-1-ylbenzenecarboximidamide

C11H14FN3 — CID 79015592

IUPAC2-fluoro-6-pyrrolidin-1-ylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(F)cccc1N1CCCC1
InChIInChI=1S/C11H14FN3/c12-8-4-3-5-9(10(8)11(13)14)15-6-1-2-7-15/h3-5H,1-2,6-7H2,(H3,13,14)
InChIKeyUTVLXZRMISXZMB-UHFFFAOYSA-N
MW207.25 g/mol
LogP1.71
Rot. Bonds2

About 2-fluoro-6-pyrrolidin-1-ylbenzenecarboximidamide

2-fluoro-6-pyrrolidin-1-ylbenzenecarboximidamide (PubChem CID 79015592) has the molecular formula C11H14FN3 and a molecular weight of 207.25 g/mol. Its IUPAC name is 2-fluoro-6-pyrrolidin-1-ylbenzenecarboximidamide.

Molecular Properties

Compound Name2-fluoro-6-pyrrolidin-1-ylbenzenecarboximidamide
PubChem CID79015592
Molecular FormulaC11H14FN3
Molecular Weight207.25 g/mol
Exact Mass207.12
IUPAC Name2-fluoro-6-pyrrolidin-1-ylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(F)cccc1N1CCCC1
InChIInChI=1S/C11H14FN3/c12-8-4-3-5-9(10(8)11(13)14)15-6-1-2-7-15/h3-5H,1-2,6-7H2,(H3,13,14)
InChIKeyUTVLXZRMISXZMB-UHFFFAOYSA-N
XLogP1.71
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

2-fluoro-6-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]benzenecarboximidamide
CID 107223288
2-(3,3-dimethylpiperidin-1-yl)-6-fluorobenzenecarboximidamide
CID 79520152
2-fluoro-6-[4-(2-hydroxyethyl)piperazin-1-yl]benzenecarboximidamide;hydrochloride
CID 82253606
2-fluoro-6-(3-piperidin-1-ylpyrrolidin-1-yl)benzenecarboximidamide
CID 79515780
2-fluoro-6-[3-(2-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide
CID 107227616
2-fluoro-6-(4-hydroxy-3-methylpiperidin-1-yl)benzenecarboximidamide
CID 114678798
2-fluoro-6-[3-(methoxymethyl)piperidin-1-yl]benzenecarboximidamide
CID 106587111
2-fluoro-6-(2-propan-2-ylpyrrolidin-1-yl)benzenecarboximidamide
CID 79519913
2-fluoro-6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)benzenecarboximidamide
CID 79519738
2-(azocan-1-yl)benzenecarboximidamide
CID 28801457
2-chloro-6-(4-hydroxypiperidin-1-yl)benzenecarboximidamide
CID 62502937
2-amino-6-morpholin-4-ylbenzenecarboximidamide
CID 143704993

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-pyrrolidin-1-ylbenzenecarboximidamide?
The IUPAC name of 2-fluoro-6-pyrrolidin-1-ylbenzenecarboximidamide (CID 79015592) is 2-fluoro-6-pyrrolidin-1-ylbenzenecarboximidamide.
What is the SMILES notation for 2-fluoro-6-pyrrolidin-1-ylbenzenecarboximidamide?
The canonical SMILES for 2-fluoro-6-pyrrolidin-1-ylbenzenecarboximidamide is [H]/N=C(\N)c1c(F)cccc1N1CCCC1.
What is the InChIKey of 2-fluoro-6-pyrrolidin-1-ylbenzenecarboximidamide?
The InChIKey is UTVLXZRMISXZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3/c12-8-4-3-5-9(10(8)11(13)14)15-6-1-2-7-15/h3-5H,1-2,6-7H2,(H3,13,14).
What are the key properties of 2-fluoro-6-pyrrolidin-1-ylbenzenecarboximidamide?
2-fluoro-6-pyrrolidin-1-ylbenzenecarboximidamide has a molecular weight of 207.25 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-pyrrolidin-1-ylbenzenecarboximidamide is sourced from PubChem (CID 79015592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).