2-fluoro-6-(2-propan-2-ylpyrrolidin-1-yl)benzenecarboximidamide

C14H20FN3 — CID 79519913

IUPAC2-fluoro-6-(2-propan-2-ylpyrrolidin-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(F)cccc1N1CCCC1C(C)C
InChIInChI=1S/C14H20FN3/c1-9(2)11-7-4-8-18(11)12-6-3-5-10(15)13(12)14(16)17/h3,5-6,9,11H,4,7-8H2,1-2H3,(H3,16,17)
InChIKeyQUZHPRMPGUDIJE-UHFFFAOYSA-N
MW249.33 g/mol
LogP2.73
Rot. Bonds3

About 2-fluoro-6-(2-propan-2-ylpyrrolidin-1-yl)benzenecarboximidamide

2-fluoro-6-(2-propan-2-ylpyrrolidin-1-yl)benzenecarboximidamide (PubChem CID 79519913) has the molecular formula C14H20FN3 and a molecular weight of 249.33 g/mol. Its IUPAC name is 2-fluoro-6-(2-propan-2-ylpyrrolidin-1-yl)benzenecarboximidamide.

Molecular Properties

Compound Name2-fluoro-6-(2-propan-2-ylpyrrolidin-1-yl)benzenecarboximidamide
PubChem CID79519913
Molecular FormulaC14H20FN3
Molecular Weight249.33 g/mol
Exact Mass249.16
IUPAC Name2-fluoro-6-(2-propan-2-ylpyrrolidin-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(F)cccc1N1CCCC1C(C)C
InChIInChI=1S/C14H20FN3/c1-9(2)11-7-4-8-18(11)12-6-3-5-10(15)13(12)14(16)17/h3,5-6,9,11H,4,7-8H2,1-2H3,(H3,16,17)
InChIKeyQUZHPRMPGUDIJE-UHFFFAOYSA-N
XLogP2.73
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 52.73
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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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(2-propan-2-ylpyrrolidin-1-yl)benzenecarboximidamide?
The IUPAC name of 2-fluoro-6-(2-propan-2-ylpyrrolidin-1-yl)benzenecarboximidamide (CID 79519913) is 2-fluoro-6-(2-propan-2-ylpyrrolidin-1-yl)benzenecarboximidamide.
What is the SMILES notation for 2-fluoro-6-(2-propan-2-ylpyrrolidin-1-yl)benzenecarboximidamide?
The canonical SMILES for 2-fluoro-6-(2-propan-2-ylpyrrolidin-1-yl)benzenecarboximidamide is [H]/N=C(\N)c1c(F)cccc1N1CCCC1C(C)C.
What is the InChIKey of 2-fluoro-6-(2-propan-2-ylpyrrolidin-1-yl)benzenecarboximidamide?
The InChIKey is QUZHPRMPGUDIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3/c1-9(2)11-7-4-8-18(11)12-6-3-5-10(15)13(12)14(16)17/h3,5-6,9,11H,4,7-8H2,1-2H3,(H3,16,17).
What are the key properties of 2-fluoro-6-(2-propan-2-ylpyrrolidin-1-yl)benzenecarboximidamide?
2-fluoro-6-(2-propan-2-ylpyrrolidin-1-yl)benzenecarboximidamide has a molecular weight of 249.33 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(2-propan-2-ylpyrrolidin-1-yl)benzenecarboximidamide is sourced from PubChem (CID 79519913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).