3-(4-bromophenyl)-2,2-difluoropropanimidamide

C9H9BrF2N2 — CID 115049047

IUPAC3-(4-bromophenyl)-2,2-difluoropropanimidamide
SMILES[H]/N=C(\N)C(F)(F)Cc1ccc(Br)cc1
InChIInChI=1S/C9H9BrF2N2/c10-7-3-1-6(2-4-7)5-9(11,12)8(13)14/h1-4H,5H2,(H3,13,14)
InChIKeyZNMYYGVWPSNXHY-UHFFFAOYSA-N
MW263.08 g/mol
LogP2.56
Rot. Bonds3

About 3-(4-bromophenyl)-2,2-difluoropropanimidamide

3-(4-bromophenyl)-2,2-difluoropropanimidamide (PubChem CID 115049047) has the molecular formula C9H9BrF2N2 and a molecular weight of 263.08 g/mol. Its IUPAC name is 3-(4-bromophenyl)-2,2-difluoropropanimidamide.

Molecular Properties

Compound Name3-(4-bromophenyl)-2,2-difluoropropanimidamide
PubChem CID115049047
Molecular FormulaC9H9BrF2N2
Molecular Weight263.08 g/mol
Exact Mass261.99
IUPAC Name3-(4-bromophenyl)-2,2-difluoropropanimidamide
SMILES[H]/N=C(\N)C(F)(F)Cc1ccc(Br)cc1
InChIInChI=1S/C9H9BrF2N2/c10-7-3-1-6(2-4-7)5-9(11,12)8(13)14/h1-4H,5H2,(H3,13,14)
InChIKeyZNMYYGVWPSNXHY-UHFFFAOYSA-N
XLogP2.56
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.08
LogP ≤ 52.56
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 3-(4-bromophenyl)-2,2-difluoropropanimidamide?
The IUPAC name of 3-(4-bromophenyl)-2,2-difluoropropanimidamide (CID 115049047) is 3-(4-bromophenyl)-2,2-difluoropropanimidamide.
What is the SMILES notation for 3-(4-bromophenyl)-2,2-difluoropropanimidamide?
The canonical SMILES for 3-(4-bromophenyl)-2,2-difluoropropanimidamide is [H]/N=C(\N)C(F)(F)Cc1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)-2,2-difluoropropanimidamide?
The InChIKey is ZNMYYGVWPSNXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrF2N2/c10-7-3-1-6(2-4-7)5-9(11,12)8(13)14/h1-4H,5H2,(H3,13,14).
What are the key properties of 3-(4-bromophenyl)-2,2-difluoropropanimidamide?
3-(4-bromophenyl)-2,2-difluoropropanimidamide has a molecular weight of 263.08 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-2,2-difluoropropanimidamide is sourced from PubChem (CID 115049047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).