4-bromo-3,5-difluorobenzenecarboximidamide

C7H5BrF2N2 — CID 14794291

IUPAC4-bromo-3,5-difluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)c(Br)c(F)c1
InChIInChI=1S/C7H5BrF2N2/c8-6-4(9)1-3(7(11)12)2-5(6)10/h1-2H,(H3,11,12)
InChIKeyCFAPNSPHBOUOHY-UHFFFAOYSA-N
MW235.03 g/mol
LogP2.01
Rot. Bonds1

About 4-bromo-3,5-difluorobenzenecarboximidamide

4-bromo-3,5-difluorobenzenecarboximidamide (PubChem CID 14794291) has the molecular formula C7H5BrF2N2 and a molecular weight of 235.03 g/mol. Its IUPAC name is 4-bromo-3,5-difluorobenzenecarboximidamide.

Molecular Properties

Compound Name4-bromo-3,5-difluorobenzenecarboximidamide
PubChem CID14794291
Molecular FormulaC7H5BrF2N2
Molecular Weight235.03 g/mol
Exact Mass233.96
IUPAC Name4-bromo-3,5-difluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)c(Br)c(F)c1
InChIInChI=1S/C7H5BrF2N2/c8-6-4(9)1-3(7(11)12)2-5(6)10/h1-2H,(H3,11,12)
InChIKeyCFAPNSPHBOUOHY-UHFFFAOYSA-N
XLogP2.01
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.03
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3,5-difluorobenzenecarboximidamide?
The IUPAC name of 4-bromo-3,5-difluorobenzenecarboximidamide (CID 14794291) is 4-bromo-3,5-difluorobenzenecarboximidamide.
What is the SMILES notation for 4-bromo-3,5-difluorobenzenecarboximidamide?
The canonical SMILES for 4-bromo-3,5-difluorobenzenecarboximidamide is [H]/N=C(\N)c1cc(F)c(Br)c(F)c1.
What is the InChIKey of 4-bromo-3,5-difluorobenzenecarboximidamide?
The InChIKey is CFAPNSPHBOUOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF2N2/c8-6-4(9)1-3(7(11)12)2-5(6)10/h1-2H,(H3,11,12).
What are the key properties of 4-bromo-3,5-difluorobenzenecarboximidamide?
4-bromo-3,5-difluorobenzenecarboximidamide has a molecular weight of 235.03 g/mol, XLogP of 2.01, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3,5-difluorobenzenecarboximidamide is sourced from PubChem (CID 14794291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).