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

C6H7BrFN — CID 143998340

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

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

(2E)-2-bromo-N-methylpenta-2,4-dienimidoyl fluoride (PubChem CID 143998340) has the molecular formula C6H7BrFN and a molecular weight of 192.03 g/mol. Its IUPAC name is (2E)-2-bromo-N-methylpenta-2,4-dienimidoyl fluoride.

Molecular Properties

Compound Name(2E)-2-bromo-N-methylpenta-2,4-dienimidoyl fluoride
PubChem CID143998340
Molecular FormulaC6H7BrFN
Molecular Weight192.03 g/mol
Exact Mass190.97
IUPAC Name(2E)-2-bromo-N-methylpenta-2,4-dienimidoyl fluoride
SMILESC=C/C=C(Br)\C(F)=N\C
InChIInChI=1S/C6H7BrFN/c1-3-4-5(7)6(8)9-2/h3-4H,1H2,2H3/b5-4+,9-6-
InChIKeyXORUBWHEJOOYBN-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

(3E,5E)-5-bromo-4-fluorohepta-1,3,5-triene
CID 142332735
ethane;(3Z)-2-fluoro-3-methylhexa-1,3,5-triene
CID 143773751
(2E,4E)-4-bromohepta-2,4,6-trien-3-amine
CID 135198890
(Z)-N-[(1E)-1-bromobuta-1,3-dienyl]ethanimine;ethane
CID 143004877
(2Z,3E)-3-bromo-2-ethylidenehexa-3,5-dien-1-ol;ethane
CID 143124692
(3E)-4-fluorohexa-1,3-diene
CID 88586520
3-chloro-2-fluorohexa-1,3,5-triene
CID 123589039
(3Z)-3-(1-fluoroethenyl)hexa-3,5-dien-2-one
CID 142839788
(3E,5E)-6-methyl-7-methylimino-5-prop-1-en-2-ylhepta-1,3,5-trien-4-amine
CID 156736104
2-fluoro-N-prop-1-en-2-ylprop-2-enimidoyl bromide
CID 145449100
(3E,5E)-4,6-difluorohepta-1,3,5-triene
CID 142874217
N-ethenyl-N'-methylcarbamimidoyl bromide
CID 142529780

Frequently Asked Questions

What is the IUPAC name of (2E)-2-bromo-N-methylpenta-2,4-dienimidoyl fluoride?
The IUPAC name of (2E)-2-bromo-N-methylpenta-2,4-dienimidoyl fluoride (CID 143998340) is (2E)-2-bromo-N-methylpenta-2,4-dienimidoyl fluoride.
What is the SMILES notation for (2E)-2-bromo-N-methylpenta-2,4-dienimidoyl fluoride?
The canonical SMILES for (2E)-2-bromo-N-methylpenta-2,4-dienimidoyl fluoride is C=C/C=C(Br)\C(F)=N\C.
What is the InChIKey of (2E)-2-bromo-N-methylpenta-2,4-dienimidoyl fluoride?
The InChIKey is XORUBWHEJOOYBN-WEHQGULRSA-N. The full InChI is InChI=1S/C6H7BrFN/c1-3-4-5(7)6(8)9-2/h3-4H,1H2,2H3/b5-4+,9-6-.
What are the key properties of (2E)-2-bromo-N-methylpenta-2,4-dienimidoyl fluoride?
(2E)-2-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)-2-bromo-N-methylpenta-2,4-dienimidoyl fluoride is sourced from PubChem (CID 143998340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).