4-chloro-N-methyl-2-(trifluoromethyl)but-2-enimidoyl bromide

C6H6BrClF3N — CID 123174447

IUPAC4-chloro-N-methyl-2-(trifluoromethyl)but-2-enimidoyl bromide
SMILESC/N=C(\Br)C(=CCCl)C(F)(F)F
InChIInChI=1S/C6H6BrClF3N/c1-12-5(7)4(2-3-8)6(9,10)11/h2H,3H2,1H3/b4-2?,12-5-
InChIKeyRGQMXLIAZHBWKI-FXWJMIPGSA-N
MW264.47 g/mol
LogP3.14
Rot. Bonds2

About 4-chloro-N-methyl-2-(trifluoromethyl)but-2-enimidoyl bromide

4-chloro-N-methyl-2-(trifluoromethyl)but-2-enimidoyl bromide (PubChem CID 123174447) has the molecular formula C6H6BrClF3N and a molecular weight of 264.47 g/mol. Its IUPAC name is 4-chloro-N-methyl-2-(trifluoromethyl)but-2-enimidoyl bromide.

Molecular Properties

Compound Name4-chloro-N-methyl-2-(trifluoromethyl)but-2-enimidoyl bromide
PubChem CID123174447
Molecular FormulaC6H6BrClF3N
Molecular Weight264.47 g/mol
Exact Mass262.93
IUPAC Name4-chloro-N-methyl-2-(trifluoromethyl)but-2-enimidoyl bromide
SMILESC/N=C(\Br)C(=CCCl)C(F)(F)F
InChIInChI=1S/C6H6BrClF3N/c1-12-5(7)4(2-3-8)6(9,10)11/h2H,3H2,1H3/b4-2?,12-5-
InChIKeyRGQMXLIAZHBWKI-FXWJMIPGSA-N
XLogP3.14
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.47
LogP ≤ 53.14
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

4-chloro-1,1,1-trifluoro-2-(trifluoromethyl)but-2-ene
CID 11241329
(Z)-2-bromo-1,4-dichlorobut-2-ene
CID 10910617
(E)-1,1,1,3-tetrafluoro-N-methylhex-3-en-2-imine
CID 166104491
(E)-1,1,1-trifluoro-2-methyliminohex-3-en-3-ol
CID 166104999
5-chloro-3-methylpent-3-en-2-imine
CID 174617581
methyl 3-amino-N-methyl-2-(trifluoromethyl)prop-2-enimidate
CID 149233706
4-chlorobut-2-en-2-yl(trimethyl)silane
CID 71434756
3-bromo-4,4,4-trifluorobut-2-en-1-ol
CID 54370084
(2Z)-2-chloro-1,1,1-trifluoro-6-methylhepta-2,5-diene
CID 6442893
(Z)-N-tert-butyl-2,4-dichlorobut-2-en-1-imine
CID 10702956
4-bromo-1,1,1-trifluoro-2-methylbut-2-ene
CID 54541148
butane;(E)-6,6,6-trifluoro-3-methyl-5-methyliminohex-3-en-2-one
CID 171794466

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-2-(trifluoromethyl)but-2-enimidoyl bromide?
The IUPAC name of 4-chloro-N-methyl-2-(trifluoromethyl)but-2-enimidoyl bromide (CID 123174447) is 4-chloro-N-methyl-2-(trifluoromethyl)but-2-enimidoyl bromide.
What is the SMILES notation for 4-chloro-N-methyl-2-(trifluoromethyl)but-2-enimidoyl bromide?
The canonical SMILES for 4-chloro-N-methyl-2-(trifluoromethyl)but-2-enimidoyl bromide is C/N=C(\Br)C(=CCCl)C(F)(F)F.
What is the InChIKey of 4-chloro-N-methyl-2-(trifluoromethyl)but-2-enimidoyl bromide?
The InChIKey is RGQMXLIAZHBWKI-FXWJMIPGSA-N. The full InChI is InChI=1S/C6H6BrClF3N/c1-12-5(7)4(2-3-8)6(9,10)11/h2H,3H2,1H3/b4-2?,12-5-.
What are the key properties of 4-chloro-N-methyl-2-(trifluoromethyl)but-2-enimidoyl bromide?
4-chloro-N-methyl-2-(trifluoromethyl)but-2-enimidoyl bromide has a molecular weight of 264.47 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-2-(trifluoromethyl)but-2-enimidoyl bromide is sourced from PubChem (CID 123174447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).