(2E)-3-fluoro-N,2-dimethylpenta-2,4-dienimidoyl chloride

C7H9ClFN — CID 156740824

IUPAC(2E)-3-fluoro-N,2-dimethylpenta-2,4-dienimidoyl chloride
SMILESC=C/C(F)=C(C)\C(Cl)=N\C
InChIInChI=1S/C7H9ClFN/c1-4-6(9)5(2)7(8)10-3/h4H,1H2,2-3H3/b6-5+,10-7-
InChIKeyMZZTWJRIJHQLHA-LXGGSRJLSA-N
MW161.61 g/mol
LogP2.68
Rot. Bonds2

About (2E)-3-fluoro-N,2-dimethylpenta-2,4-dienimidoyl chloride

(2E)-3-fluoro-N,2-dimethylpenta-2,4-dienimidoyl chloride (PubChem CID 156740824) has the molecular formula C7H9ClFN and a molecular weight of 161.61 g/mol. Its IUPAC name is (2E)-3-fluoro-N,2-dimethylpenta-2,4-dienimidoyl chloride.

Molecular Properties

Compound Name(2E)-3-fluoro-N,2-dimethylpenta-2,4-dienimidoyl chloride
PubChem CID156740824
Molecular FormulaC7H9ClFN
Molecular Weight161.61 g/mol
Exact Mass161.04
IUPAC Name(2E)-3-fluoro-N,2-dimethylpenta-2,4-dienimidoyl chloride
SMILESC=C/C(F)=C(C)\C(Cl)=N\C
InChIInChI=1S/C7H9ClFN/c1-4-6(9)5(2)7(8)10-3/h4H,1H2,2-3H3/b6-5+,10-7-
InChIKeyMZZTWJRIJHQLHA-LXGGSRJLSA-N
XLogP2.68
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.61
LogP ≤ 52.68
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

(2Z)-N,2-dimethylpenta-2,4-dienimidoyl fluoride
CID 142249090
ethane;(2E)-3-fluoro-N,2-dimethylpenta-2,4-dienimidoyl chloride
CID 156740823

Frequently Asked Questions

What is the IUPAC name of (2E)-3-fluoro-N,2-dimethylpenta-2,4-dienimidoyl chloride?
The IUPAC name of (2E)-3-fluoro-N,2-dimethylpenta-2,4-dienimidoyl chloride (CID 156740824) is (2E)-3-fluoro-N,2-dimethylpenta-2,4-dienimidoyl chloride.
What is the SMILES notation for (2E)-3-fluoro-N,2-dimethylpenta-2,4-dienimidoyl chloride?
The canonical SMILES for (2E)-3-fluoro-N,2-dimethylpenta-2,4-dienimidoyl chloride is C=C/C(F)=C(C)\C(Cl)=N\C.
What is the InChIKey of (2E)-3-fluoro-N,2-dimethylpenta-2,4-dienimidoyl chloride?
The InChIKey is MZZTWJRIJHQLHA-LXGGSRJLSA-N. The full InChI is InChI=1S/C7H9ClFN/c1-4-6(9)5(2)7(8)10-3/h4H,1H2,2-3H3/b6-5+,10-7-.
What are the key properties of (2E)-3-fluoro-N,2-dimethylpenta-2,4-dienimidoyl chloride?
(2E)-3-fluoro-N,2-dimethylpenta-2,4-dienimidoyl chloride has a molecular weight of 161.61 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3-fluoro-N,2-dimethylpenta-2,4-dienimidoyl chloride is sourced from PubChem (CID 156740824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).