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

C7H10FN — CID 143727116

IUPAC(2Z,4E)-2-methylhexa-2,4-dienimidoyl fluoride
SMILES[H]/N=C(F)/C(C)=C\C=C\C
InChIInChI=1S/C7H10FN/c1-3-4-5-6(2)7(8)9/h3-5,9H,1-2H3/b4-3+,6-5-,9-7-
InChIKeyRWGXYCIQYAOUTJ-MSMXRRBASA-N
MW127.16 g/mol
LogP2.46
Rot. Bonds2

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

(2Z,4E)-2-methylhexa-2,4-dienimidoyl fluoride (PubChem CID 143727116) has the molecular formula C7H10FN and a molecular weight of 127.16 g/mol. Its IUPAC name is (2Z,4E)-2-methylhexa-2,4-dienimidoyl fluoride.

Molecular Properties

Compound Name(2Z,4E)-2-methylhexa-2,4-dienimidoyl fluoride
PubChem CID143727116
Molecular FormulaC7H10FN
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC Name(2Z,4E)-2-methylhexa-2,4-dienimidoyl fluoride
SMILES[H]/N=C(F)/C(C)=C\C=C\C
InChIInChI=1S/C7H10FN/c1-3-4-5-6(2)7(8)9/h3-5,9H,1-2H3/b4-3+,6-5-,9-7-
InChIKeyRWGXYCIQYAOUTJ-MSMXRRBASA-N
XLogP2.46
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.16
LogP ≤ 52.46
H-Bond Donors ≤ 51
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

(2Z,4E)-5-fluoro-2-methylpenta-2,4-dien-1-imine
CID 89141297
(2Z,4E)-4-fluoro-2-methylhexa-2,4-dien-1-imine
CID 117805607
(2Z,4E)-5-fluoro-2-methylhexa-2,4-dien-1-imine
CID 141983460
(2Z)-N,2-dimethylpenta-2,4-dienimidoyl fluoride
CID 142249090
(2Z)-3-methylpenta-2,4-dienimidoyl fluoride
CID 144204048

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-2-methylhexa-2,4-dienimidoyl fluoride?
The IUPAC name of (2Z,4E)-2-methylhexa-2,4-dienimidoyl fluoride (CID 143727116) is (2Z,4E)-2-methylhexa-2,4-dienimidoyl fluoride.
What is the SMILES notation for (2Z,4E)-2-methylhexa-2,4-dienimidoyl fluoride?
The canonical SMILES for (2Z,4E)-2-methylhexa-2,4-dienimidoyl fluoride is [H]/N=C(F)/C(C)=C\C=C\C.
What is the InChIKey of (2Z,4E)-2-methylhexa-2,4-dienimidoyl fluoride?
The InChIKey is RWGXYCIQYAOUTJ-MSMXRRBASA-N. The full InChI is InChI=1S/C7H10FN/c1-3-4-5-6(2)7(8)9/h3-5,9H,1-2H3/b4-3+,6-5-,9-7-.
What are the key properties of (2Z,4E)-2-methylhexa-2,4-dienimidoyl fluoride?
(2Z,4E)-2-methylhexa-2,4-dienimidoyl fluoride has a molecular weight of 127.16 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-2-methylhexa-2,4-dienimidoyl fluoride is sourced from PubChem (CID 143727116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).