2,2,2-trifluoro-N-(4-methoxyphenyl)ethanimidoyl bromide

C9H7BrF3NO — CID 10423865

IUPAC2,2,2-trifluoro-N-(4-methoxyphenyl)ethanimidoyl bromide
SMILESCOc1ccc(/N=C(\Br)C(F)(F)F)cc1
InChIInChI=1S/C9H7BrF3NO/c1-15-7-4-2-6(3-5-7)14-8(10)9(11,12)13/h2-5H,1H3/b14-8-
InChIKeyCKZIHEFXHRUDDC-ZSOIEALJSA-N
MW282.06 g/mol
LogP3.68
Rot. Bonds2

About 2,2,2-trifluoro-N-(4-methoxyphenyl)ethanimidoyl bromide

2,2,2-trifluoro-N-(4-methoxyphenyl)ethanimidoyl bromide (PubChem CID 10423865) has the molecular formula C9H7BrF3NO and a molecular weight of 282.06 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(4-methoxyphenyl)ethanimidoyl bromide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(4-methoxyphenyl)ethanimidoyl bromide
PubChem CID10423865
Molecular FormulaC9H7BrF3NO
Molecular Weight282.06 g/mol
Exact Mass280.97
IUPAC Name2,2,2-trifluoro-N-(4-methoxyphenyl)ethanimidoyl bromide
SMILESCOc1ccc(/N=C(\Br)C(F)(F)F)cc1
InChIInChI=1S/C9H7BrF3NO/c1-15-7-4-2-6(3-5-7)14-8(10)9(11,12)13/h2-5H,1H3/b14-8-
InChIKeyCKZIHEFXHRUDDC-ZSOIEALJSA-N
XLogP3.68
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.06
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(4-methoxyphenyl)ethanimidoyl bromide?
The IUPAC name of 2,2,2-trifluoro-N-(4-methoxyphenyl)ethanimidoyl bromide (CID 10423865) is 2,2,2-trifluoro-N-(4-methoxyphenyl)ethanimidoyl bromide.
What is the SMILES notation for 2,2,2-trifluoro-N-(4-methoxyphenyl)ethanimidoyl bromide?
The canonical SMILES for 2,2,2-trifluoro-N-(4-methoxyphenyl)ethanimidoyl bromide is COc1ccc(/N=C(\Br)C(F)(F)F)cc1.
What is the InChIKey of 2,2,2-trifluoro-N-(4-methoxyphenyl)ethanimidoyl bromide?
The InChIKey is CKZIHEFXHRUDDC-ZSOIEALJSA-N. The full InChI is InChI=1S/C9H7BrF3NO/c1-15-7-4-2-6(3-5-7)14-8(10)9(11,12)13/h2-5H,1H3/b14-8-.
What are the key properties of 2,2,2-trifluoro-N-(4-methoxyphenyl)ethanimidoyl bromide?
2,2,2-trifluoro-N-(4-methoxyphenyl)ethanimidoyl bromide has a molecular weight of 282.06 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(4-methoxyphenyl)ethanimidoyl bromide is sourced from PubChem (CID 10423865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).