2,3-difluoro-6-(trifluoromethyl)benzenecarboximidamide

C8H5F5N2 — CID 10220142

IUPAC2,3-difluoro-6-(trifluoromethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(C(F)(F)F)ccc(F)c1F
InChIInChI=1S/C8H5F5N2/c9-4-2-1-3(8(11,12)13)5(6(4)10)7(14)15/h1-2H,(H3,14,15)
InChIKeyJYSBNJJWTHMPOC-UHFFFAOYSA-N
MW224.13 g/mol
LogP2.27
Rot. Bonds1

About 2,3-difluoro-6-(trifluoromethyl)benzenecarboximidamide

2,3-difluoro-6-(trifluoromethyl)benzenecarboximidamide (PubChem CID 10220142) has the molecular formula C8H5F5N2 and a molecular weight of 224.13 g/mol. Its IUPAC name is 2,3-difluoro-6-(trifluoromethyl)benzenecarboximidamide.

Molecular Properties

Compound Name2,3-difluoro-6-(trifluoromethyl)benzenecarboximidamide
PubChem CID10220142
Molecular FormulaC8H5F5N2
Molecular Weight224.13 g/mol
Exact Mass224.04
IUPAC Name2,3-difluoro-6-(trifluoromethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(C(F)(F)F)ccc(F)c1F
InChIInChI=1S/C8H5F5N2/c9-4-2-1-3(8(11,12)13)5(6(4)10)7(14)15/h1-2H,(H3,14,15)
InChIKeyJYSBNJJWTHMPOC-UHFFFAOYSA-N
XLogP2.27
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.13
LogP ≤ 52.27
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-6-(trifluoromethyl)benzenecarboximidamide?
The IUPAC name of 2,3-difluoro-6-(trifluoromethyl)benzenecarboximidamide (CID 10220142) is 2,3-difluoro-6-(trifluoromethyl)benzenecarboximidamide.
What is the SMILES notation for 2,3-difluoro-6-(trifluoromethyl)benzenecarboximidamide?
The canonical SMILES for 2,3-difluoro-6-(trifluoromethyl)benzenecarboximidamide is [H]/N=C(\N)c1c(C(F)(F)F)ccc(F)c1F.
What is the InChIKey of 2,3-difluoro-6-(trifluoromethyl)benzenecarboximidamide?
The InChIKey is JYSBNJJWTHMPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F5N2/c9-4-2-1-3(8(11,12)13)5(6(4)10)7(14)15/h1-2H,(H3,14,15).
What are the key properties of 2,3-difluoro-6-(trifluoromethyl)benzenecarboximidamide?
2,3-difluoro-6-(trifluoromethyl)benzenecarboximidamide has a molecular weight of 224.13 g/mol, XLogP of 2.27, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-6-(trifluoromethyl)benzenecarboximidamide is sourced from PubChem (CID 10220142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).