2-bromo-2,2-difluoro-N-(2,2,2-trifluoroacetyl)ethanimidoyl fluoride

C4BrF6NO — CID 15697156

IUPAC2-bromo-2,2-difluoro-N-(2,2,2-trifluoroacetyl)ethanimidoyl fluoride
SMILESO=C(/N=C(\F)C(F)(F)Br)C(F)(F)F
InChIInChI=1S/C4BrF6NO/c5-3(7,8)1(6)12-2(13)4(9,10)11/b12-1-
InChIKeyFJHZENKYEGSCQW-VIJZIMQTSA-N
MW271.94 g/mol
LogP2.43
Rot. Bonds1

About 2-bromo-2,2-difluoro-N-(2,2,2-trifluoroacetyl)ethanimidoyl fluoride

2-bromo-2,2-difluoro-N-(2,2,2-trifluoroacetyl)ethanimidoyl fluoride (PubChem CID 15697156) has the molecular formula C4BrF6NO and a molecular weight of 271.94 g/mol. Its IUPAC name is 2-bromo-2,2-difluoro-N-(2,2,2-trifluoroacetyl)ethanimidoyl fluoride.

Molecular Properties

Compound Name2-bromo-2,2-difluoro-N-(2,2,2-trifluoroacetyl)ethanimidoyl fluoride
PubChem CID15697156
Molecular FormulaC4BrF6NO
Molecular Weight271.94 g/mol
Exact Mass270.91
IUPAC Name2-bromo-2,2-difluoro-N-(2,2,2-trifluoroacetyl)ethanimidoyl fluoride
SMILESO=C(/N=C(\F)C(F)(F)Br)C(F)(F)F
InChIInChI=1S/C4BrF6NO/c5-3(7,8)1(6)12-2(13)4(9,10)11/b12-1-
InChIKeyFJHZENKYEGSCQW-VIJZIMQTSA-N
XLogP2.43
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.94
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-2,2-difluoro-N-(2,2,2-trifluoroacetyl)ethanimidoyl fluoride?
The IUPAC name of 2-bromo-2,2-difluoro-N-(2,2,2-trifluoroacetyl)ethanimidoyl fluoride (CID 15697156) is 2-bromo-2,2-difluoro-N-(2,2,2-trifluoroacetyl)ethanimidoyl fluoride.
What is the SMILES notation for 2-bromo-2,2-difluoro-N-(2,2,2-trifluoroacetyl)ethanimidoyl fluoride?
The canonical SMILES for 2-bromo-2,2-difluoro-N-(2,2,2-trifluoroacetyl)ethanimidoyl fluoride is O=C(/N=C(\F)C(F)(F)Br)C(F)(F)F.
What is the InChIKey of 2-bromo-2,2-difluoro-N-(2,2,2-trifluoroacetyl)ethanimidoyl fluoride?
The InChIKey is FJHZENKYEGSCQW-VIJZIMQTSA-N. The full InChI is InChI=1S/C4BrF6NO/c5-3(7,8)1(6)12-2(13)4(9,10)11/b12-1-.
What are the key properties of 2-bromo-2,2-difluoro-N-(2,2,2-trifluoroacetyl)ethanimidoyl fluoride?
2-bromo-2,2-difluoro-N-(2,2,2-trifluoroacetyl)ethanimidoyl fluoride has a molecular weight of 271.94 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2,2-difluoro-N-(2,2,2-trifluoroacetyl)ethanimidoyl fluoride is sourced from PubChem (CID 15697156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).