(2Z,4E)-N-methylhexa-2,4-dienimidoyl fluoride

C7H10FN — CID 142035102

IUPAC(2Z,4E)-N-methylhexa-2,4-dienimidoyl fluoride
SMILESC/C=C/C=C\C(F)=N\C
InChIInChI=1S/C7H10FN/c1-3-4-5-6-7(8)9-2/h3-6H,1-2H3/b4-3+,6-5-,9-7-
InChIKeyHYOKKSDLFQUCSM-MSMXRRBASA-N
MW127.16 g/mol
LogP2.12
Rot. Bonds2

About (2Z,4E)-N-methylhexa-2,4-dienimidoyl fluoride

(2Z,4E)-N-methylhexa-2,4-dienimidoyl fluoride (PubChem CID 142035102) has the molecular formula C7H10FN and a molecular weight of 127.16 g/mol. Its IUPAC name is (2Z,4E)-N-methylhexa-2,4-dienimidoyl fluoride.

Molecular Properties

Compound Name(2Z,4E)-N-methylhexa-2,4-dienimidoyl fluoride
PubChem CID142035102
Molecular FormulaC7H10FN
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC Name(2Z,4E)-N-methylhexa-2,4-dienimidoyl fluoride
SMILESC/C=C/C=C\C(F)=N\C
InChIInChI=1S/C7H10FN/c1-3-4-5-6-7(8)9-2/h3-6H,1-2H3/b4-3+,6-5-,9-7-
InChIKeyHYOKKSDLFQUCSM-MSMXRRBASA-N
XLogP2.12
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.16
LogP ≤ 52.12
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

N-methylbut-2-enimidoyl fluoride
CID 123871369
(2Z)-N-ethenylpenta-2,4-dienimidoyl fluoride
CID 130206759
(Z)-N-ethylbut-2-enimidoyl fluoride
CID 134492872
(Z)-4-fluoro-N-methylbut-2-enimidoyl fluoride
CID 139386565
(2Z)-N-methylpenta-2,4-dienimidoyl fluoride
CID 139386586
(2Z)-N,2-dimethylpenta-2,4-dienimidoyl fluoride
CID 142249090
(Z)-N-methylbut-2-enimidoyl fluoride
CID 143694284
(2E)-3-fluoro-N-methylpenta-2,4-dien-1-imine
CID 144460052
(2E)-3-bromo-N-methylpenta-2,4-dienimidoyl fluoride
CID 144770934
(2Z)-N,3-dimethylpenta-2,4-dienimidoyl fluoride
CID 155735311
(2E)-3-fluoro-N-methylpenta-2,4-dienimidoyl chloride
CID 157029734
(2E)-3-fluoro-N-methylpenta-2,4-dienimidoyl bromide
CID 171540032

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-N-methylhexa-2,4-dienimidoyl fluoride?
The IUPAC name of (2Z,4E)-N-methylhexa-2,4-dienimidoyl fluoride (CID 142035102) is (2Z,4E)-N-methylhexa-2,4-dienimidoyl fluoride.
What is the SMILES notation for (2Z,4E)-N-methylhexa-2,4-dienimidoyl fluoride?
The canonical SMILES for (2Z,4E)-N-methylhexa-2,4-dienimidoyl fluoride is C/C=C/C=C\C(F)=N\C.
What is the InChIKey of (2Z,4E)-N-methylhexa-2,4-dienimidoyl fluoride?
The InChIKey is HYOKKSDLFQUCSM-MSMXRRBASA-N. The full InChI is InChI=1S/C7H10FN/c1-3-4-5-6-7(8)9-2/h3-6H,1-2H3/b4-3+,6-5-,9-7-.
What are the key properties of (2Z,4E)-N-methylhexa-2,4-dienimidoyl fluoride?
(2Z,4E)-N-methylhexa-2,4-dienimidoyl fluoride has a molecular weight of 127.16 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-N-methylhexa-2,4-dienimidoyl fluoride is sourced from PubChem (CID 142035102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).