(2E)-3-bromo-N-methylpenta-2,4-dienimidoyl fluoride

C6H7BrFN — CID 144770934

IUPAC(2E)-3-bromo-N-methylpenta-2,4-dienimidoyl fluoride
SMILESC=C/C(Br)=C\C(F)=N\C
InChIInChI=1S/C6H7BrFN/c1-3-5(7)4-6(8)9-2/h3-4H,1H2,2H3/b5-4+,9-6-
InChIKeyGEMVPEXCOXEBQR-WEHQGULRSA-N
MW192.03 g/mol
LogP2.45
Rot. Bonds2

About (2E)-3-bromo-N-methylpenta-2,4-dienimidoyl fluoride

(2E)-3-bromo-N-methylpenta-2,4-dienimidoyl fluoride (PubChem CID 144770934) has the molecular formula C6H7BrFN and a molecular weight of 192.03 g/mol. Its IUPAC name is (2E)-3-bromo-N-methylpenta-2,4-dienimidoyl fluoride.

Molecular Properties

Compound Name(2E)-3-bromo-N-methylpenta-2,4-dienimidoyl fluoride
PubChem CID144770934
Molecular FormulaC6H7BrFN
Molecular Weight192.03 g/mol
Exact Mass190.97
IUPAC Name(2E)-3-bromo-N-methylpenta-2,4-dienimidoyl fluoride
SMILESC=C/C(Br)=C\C(F)=N\C
InChIInChI=1S/C6H7BrFN/c1-3-5(7)4-6(8)9-2/h3-4H,1H2,2H3/b5-4+,9-6-
InChIKeyGEMVPEXCOXEBQR-WEHQGULRSA-N
XLogP2.45
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.03
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E)-2-bromo-4-fluoro-N-methylpenta-2,4-dien-1-imine
CID 89129507
(2Z)-N-methylpenta-2,4-dienimidoyl fluoride
CID 139386586
(2Z,4E)-N-methylhexa-2,4-dienimidoyl fluoride
CID 142035102
(2E)-2-bromo-N-methylpenta-2,4-dienimidoyl fluoride
CID 143998340
(E)-3-bromo-N-methylbut-2-enimidoyl fluoride
CID 170267019
(2E)-3-fluoro-N-methylpenta-2,4-dienimidoyl bromide
CID 171540032
(Z)-N-(1-fluoroethyl)but-2-enimidoyl bromide
CID 173766812
(2E)-2-bromo-N-methylpenta-2,4-dienimidoyl fluoride;ethane
CID 169108769
(2Z)-N-methylpenta-2,4-dienimidoyl bromide
CID 144946054

Frequently Asked Questions

What is the IUPAC name of (2E)-3-bromo-N-methylpenta-2,4-dienimidoyl fluoride?
The IUPAC name of (2E)-3-bromo-N-methylpenta-2,4-dienimidoyl fluoride (CID 144770934) is (2E)-3-bromo-N-methylpenta-2,4-dienimidoyl fluoride.
What is the SMILES notation for (2E)-3-bromo-N-methylpenta-2,4-dienimidoyl fluoride?
The canonical SMILES for (2E)-3-bromo-N-methylpenta-2,4-dienimidoyl fluoride is C=C/C(Br)=C\C(F)=N\C.
What is the InChIKey of (2E)-3-bromo-N-methylpenta-2,4-dienimidoyl fluoride?
The InChIKey is GEMVPEXCOXEBQR-WEHQGULRSA-N. The full InChI is InChI=1S/C6H7BrFN/c1-3-5(7)4-6(8)9-2/h3-4H,1H2,2H3/b5-4+,9-6-.
What are the key properties of (2E)-3-bromo-N-methylpenta-2,4-dienimidoyl fluoride?
(2E)-3-bromo-N-methylpenta-2,4-dienimidoyl fluoride has a molecular weight of 192.03 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3-bromo-N-methylpenta-2,4-dienimidoyl fluoride is sourced from PubChem (CID 144770934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).