5-amino-2,3,4-trifluorobenzenecarboximidamide

C7H6F3N3 — CID 83382918

IUPAC5-amino-2,3,4-trifluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(N)c(F)c(F)c1F
InChIInChI=1S/C7H6F3N3/c8-4-2(7(12)13)1-3(11)5(9)6(4)10/h1H,11H2,(H3,12,13)
InChIKeyNWBXJAPUOXPQNZ-UHFFFAOYSA-N
MW189.14 g/mol
LogP0.97
Rot. Bonds1

About 5-amino-2,3,4-trifluorobenzenecarboximidamide

5-amino-2,3,4-trifluorobenzenecarboximidamide (PubChem CID 83382918) has the molecular formula C7H6F3N3 and a molecular weight of 189.14 g/mol. Its IUPAC name is 5-amino-2,3,4-trifluorobenzenecarboximidamide.

Molecular Properties

Compound Name5-amino-2,3,4-trifluorobenzenecarboximidamide
PubChem CID83382918
Molecular FormulaC7H6F3N3
Molecular Weight189.14 g/mol
Exact Mass189.05
IUPAC Name5-amino-2,3,4-trifluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(N)c(F)c(F)c1F
InChIInChI=1S/C7H6F3N3/c8-4-2(7(12)13)1-3(11)5(9)6(4)10/h1H,11H2,(H3,12,13)
InChIKeyNWBXJAPUOXPQNZ-UHFFFAOYSA-N
XLogP0.97
TPSA75.89 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.14
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2,3,5-trifluoro-4-methylbenzenecarboximidamide;hydrochloride
CID 174920127
2-amino-4-fluorobenzenecarboximidamide
CID 140514748
2,4,5-trifluorobenzenecarboximidamide;hydrochloride
CID 53407269
4-chloro-2,3-difluorobenzenecarboximidamide
CID 174975357
2-chloro-4-fluorobenzenecarboximidamide
CID 3626359
2-amino-4-(3-fluoro-4-hydroxyphenyl)benzenecarboximidamide
CID 143262003
2-chloro-4,5-difluorobenzenecarboximidamide;ethane
CID 145225974
4-amino-3-carbamimidoylbenzoic acid
CID 155053742
2-amino-5-nitrobenzenecarboximidamide
CID 23570805
2-bromo-3-fluoro-4-methylsulfanylbenzenecarboximidamide
CID 107537083
3,6-dichloropyridazine-4-carboximidamide
CID 153219721
2-amino-4-(5-fluoro-2-methoxyphenyl)benzenecarboximidamide
CID 143262005

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,3,4-trifluorobenzenecarboximidamide?
The IUPAC name of 5-amino-2,3,4-trifluorobenzenecarboximidamide (CID 83382918) is 5-amino-2,3,4-trifluorobenzenecarboximidamide.
What is the SMILES notation for 5-amino-2,3,4-trifluorobenzenecarboximidamide?
The canonical SMILES for 5-amino-2,3,4-trifluorobenzenecarboximidamide is [H]/N=C(\N)c1cc(N)c(F)c(F)c1F.
What is the InChIKey of 5-amino-2,3,4-trifluorobenzenecarboximidamide?
The InChIKey is NWBXJAPUOXPQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N3/c8-4-2(7(12)13)1-3(11)5(9)6(4)10/h1H,11H2,(H3,12,13).
What are the key properties of 5-amino-2,3,4-trifluorobenzenecarboximidamide?
5-amino-2,3,4-trifluorobenzenecarboximidamide has a molecular weight of 189.14 g/mol, XLogP of 0.97, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,3,4-trifluorobenzenecarboximidamide is sourced from PubChem (CID 83382918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).