2-bromo-N-(2-chloro-2,2-difluoroacetyl)-2,2-difluoroethanimidoyl fluoride

C4BrClF5NO — CID 15697158

IUPAC2-bromo-N-(2-chloro-2,2-difluoroacetyl)-2,2-difluoroethanimidoyl fluoride
SMILESO=C(/N=C(\F)C(F)(F)Br)C(F)(F)Cl
InChIInChI=1S/C4BrClF5NO/c5-3(8,9)1(7)12-2(13)4(6,10)11/b12-1-
InChIKeyOKRQVLMJECEANS-VIJZIMQTSA-N
MW288.40 g/mol
LogP2.70
Rot. Bonds2

About 2-bromo-N-(2-chloro-2,2-difluoroacetyl)-2,2-difluoroethanimidoyl fluoride

2-bromo-N-(2-chloro-2,2-difluoroacetyl)-2,2-difluoroethanimidoyl fluoride (PubChem CID 15697158) has the molecular formula C4BrClF5NO and a molecular weight of 288.40 g/mol. Its IUPAC name is 2-bromo-N-(2-chloro-2,2-difluoroacetyl)-2,2-difluoroethanimidoyl fluoride.

Molecular Properties

Compound Name2-bromo-N-(2-chloro-2,2-difluoroacetyl)-2,2-difluoroethanimidoyl fluoride
PubChem CID15697158
Molecular FormulaC4BrClF5NO
Molecular Weight288.40 g/mol
Exact Mass286.88
IUPAC Name2-bromo-N-(2-chloro-2,2-difluoroacetyl)-2,2-difluoroethanimidoyl fluoride
SMILESO=C(/N=C(\F)C(F)(F)Br)C(F)(F)Cl
InChIInChI=1S/C4BrClF5NO/c5-3(8,9)1(7)12-2(13)4(6,10)11/b12-1-
InChIKeyOKRQVLMJECEANS-VIJZIMQTSA-N
XLogP2.70
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 52.70
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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Related Compounds

2-bromo-2,2-difluoro-N-(2,2,2-trifluoroacetyl)ethanimidoyl fluoride
CID 15697156

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-chloro-2,2-difluoroacetyl)-2,2-difluoroethanimidoyl fluoride?
The IUPAC name of 2-bromo-N-(2-chloro-2,2-difluoroacetyl)-2,2-difluoroethanimidoyl fluoride (CID 15697158) is 2-bromo-N-(2-chloro-2,2-difluoroacetyl)-2,2-difluoroethanimidoyl fluoride.
What is the SMILES notation for 2-bromo-N-(2-chloro-2,2-difluoroacetyl)-2,2-difluoroethanimidoyl fluoride?
The canonical SMILES for 2-bromo-N-(2-chloro-2,2-difluoroacetyl)-2,2-difluoroethanimidoyl fluoride is O=C(/N=C(\F)C(F)(F)Br)C(F)(F)Cl.
What is the InChIKey of 2-bromo-N-(2-chloro-2,2-difluoroacetyl)-2,2-difluoroethanimidoyl fluoride?
The InChIKey is OKRQVLMJECEANS-VIJZIMQTSA-N. The full InChI is InChI=1S/C4BrClF5NO/c5-3(8,9)1(7)12-2(13)4(6,10)11/b12-1-.
What are the key properties of 2-bromo-N-(2-chloro-2,2-difluoroacetyl)-2,2-difluoroethanimidoyl fluoride?
2-bromo-N-(2-chloro-2,2-difluoroacetyl)-2,2-difluoroethanimidoyl fluoride has a molecular weight of 288.40 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-chloro-2,2-difluoroacetyl)-2,2-difluoroethanimidoyl fluoride is sourced from PubChem (CID 15697158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).