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

C9H15ClFN — CID 156740823

IUPACethane;(2E)-3-fluoro-N,2-dimethylpenta-2,4-dienimidoyl chloride
SMILESC=C/C(F)=C(C)\C(Cl)=N\C.CC
InChIInChI=1S/C7H9ClFN.C2H6/c1-4-6(9)5(2)7(8)10-3;1-2/h4H,1H2,2-3H3;1-2H3/b6-5+,10-7-;
InChIKeyZVVIUCBPMBGCFJ-FSEZHVDYSA-N
MW191.68 g/mol
LogP3.71
Rot. Bonds2

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

ethane;(2E)-3-fluoro-N,2-dimethylpenta-2,4-dienimidoyl chloride (PubChem CID 156740823) has the molecular formula C9H15ClFN and a molecular weight of 191.68 g/mol. Its IUPAC name is ethane;(2E)-3-fluoro-N,2-dimethylpenta-2,4-dienimidoyl chloride.

Molecular Properties

Compound Nameethane;(2E)-3-fluoro-N,2-dimethylpenta-2,4-dienimidoyl chloride
PubChem CID156740823
Molecular FormulaC9H15ClFN
Molecular Weight191.68 g/mol
Exact Mass191.09
IUPAC Nameethane;(2E)-3-fluoro-N,2-dimethylpenta-2,4-dienimidoyl chloride
SMILESC=C/C(F)=C(C)\C(Cl)=N\C.CC
InChIInChI=1S/C7H9ClFN.C2H6/c1-4-6(9)5(2)7(8)10-3;1-2/h4H,1H2,2-3H3;1-2H3/b6-5+,10-7-;
InChIKeyZVVIUCBPMBGCFJ-FSEZHVDYSA-N
XLogP3.71
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.68
LogP ≤ 53.71
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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Frequently Asked Questions

What is the IUPAC name of ethane;(2E)-3-fluoro-N,2-dimethylpenta-2,4-dienimidoyl chloride?
The IUPAC name of ethane;(2E)-3-fluoro-N,2-dimethylpenta-2,4-dienimidoyl chloride (CID 156740823) is ethane;(2E)-3-fluoro-N,2-dimethylpenta-2,4-dienimidoyl chloride.
What is the SMILES notation for ethane;(2E)-3-fluoro-N,2-dimethylpenta-2,4-dienimidoyl chloride?
The canonical SMILES for ethane;(2E)-3-fluoro-N,2-dimethylpenta-2,4-dienimidoyl chloride is C=C/C(F)=C(C)\C(Cl)=N\C.CC.
What is the InChIKey of ethane;(2E)-3-fluoro-N,2-dimethylpenta-2,4-dienimidoyl chloride?
The InChIKey is ZVVIUCBPMBGCFJ-FSEZHVDYSA-N. The full InChI is InChI=1S/C7H9ClFN.C2H6/c1-4-6(9)5(2)7(8)10-3;1-2/h4H,1H2,2-3H3;1-2H3/b6-5+,10-7-;.
What are the key properties of ethane;(2E)-3-fluoro-N,2-dimethylpenta-2,4-dienimidoyl chloride?
ethane;(2E)-3-fluoro-N,2-dimethylpenta-2,4-dienimidoyl chloride has a molecular weight of 191.68 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2E)-3-fluoro-N,2-dimethylpenta-2,4-dienimidoyl chloride is sourced from PubChem (CID 156740823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).