2-amino-4-fluorobenzenecarboximidamide

C7H8FN3 — CID 140514748

IUPAC2-amino-4-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(F)cc1N
InChIInChI=1S/C7H8FN3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,9H2,(H3,10,11)
InChIKeyDOYTWPIKIPNARG-UHFFFAOYSA-N
MW153.16 g/mol
LogP0.69
Rot. Bonds1

About 2-amino-4-fluorobenzenecarboximidamide

2-amino-4-fluorobenzenecarboximidamide (PubChem CID 140514748) has the molecular formula C7H8FN3 and a molecular weight of 153.16 g/mol. Its IUPAC name is 2-amino-4-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name2-amino-4-fluorobenzenecarboximidamide
PubChem CID140514748
Molecular FormulaC7H8FN3
Molecular Weight153.16 g/mol
Exact Mass153.07
IUPAC Name2-amino-4-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(F)cc1N
InChIInChI=1S/C7H8FN3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,9H2,(H3,10,11)
InChIKeyDOYTWPIKIPNARG-UHFFFAOYSA-N
XLogP0.69
TPSA75.89 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.16
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-fluorobenzenecarboximidamide
CID 3626359
2-amino-4-(5-fluoro-2-methoxyphenyl)benzenecarboximidamide
CID 143262005
2-amino-4-(3-fluoro-4-hydroxyphenyl)benzenecarboximidamide
CID 143262003
4-fluoro-2-nitrobenzenecarboximidamide
CID 53404311
5-amino-2,3,4-trifluorobenzenecarboximidamide
CID 83382918
5-fluoro-2-(methylsulfanylmethyl)benzenecarboximidamide
CID 63291251
2-(3,5-difluorophenoxy)-5-fluorobenzenecarboximidamide
CID 55233910
7-fluoroquinoline-4-carboximidamide
CID 83677826
5-fluoro-2-prop-1-en-2-ylaniline
CID 124704429
5-fluoro-2-(2-hydroxyethylsulfanyl)benzenecarboximidamide
CID 63667150
4-fluorobenzenecarboximidamide;hydroiodide
CID 68780775
2-(2,3-dihydroindol-1-yl)-5-fluorobenzenecarboximidamide
CID 55234312

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-fluorobenzenecarboximidamide?
The IUPAC name of 2-amino-4-fluorobenzenecarboximidamide (CID 140514748) is 2-amino-4-fluorobenzenecarboximidamide.
What is the SMILES notation for 2-amino-4-fluorobenzenecarboximidamide?
The canonical SMILES for 2-amino-4-fluorobenzenecarboximidamide is [H]/N=C(\N)c1ccc(F)cc1N.
What is the InChIKey of 2-amino-4-fluorobenzenecarboximidamide?
The InChIKey is DOYTWPIKIPNARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FN3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,9H2,(H3,10,11).
What are the key properties of 2-amino-4-fluorobenzenecarboximidamide?
2-amino-4-fluorobenzenecarboximidamide has a molecular weight of 153.16 g/mol, XLogP of 0.69, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-fluorobenzenecarboximidamide is sourced from PubChem (CID 140514748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).