ethane;N'-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]methanediamine

C10H19FN2 — CID 143671710

IUPACethane;N'-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]methanediamine
SMILESC=C(F)/C=C\C(=C)CNCN.CC
InChIInChI=1S/C8H13FN2.C2H6/c1-7(5-11-6-10)3-4-8(2)9;1-2/h3-4,11H,1-2,5-6,10H2;1-2H3/b4-3-;
InChIKeyKJQDRVMXSADPLI-LNKPDPKZSA-N
MW186.27 g/mol
LogP2.11
Rot. Bonds5

About ethane;N'-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]methanediamine

ethane;N'-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]methanediamine (PubChem CID 143671710) has the molecular formula C10H19FN2 and a molecular weight of 186.27 g/mol. Its IUPAC name is ethane;N'-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]methanediamine.

Molecular Properties

Compound Nameethane;N'-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]methanediamine
PubChem CID143671710
Molecular FormulaC10H19FN2
Molecular Weight186.27 g/mol
Exact Mass186.15
IUPAC Nameethane;N'-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]methanediamine
SMILESC=C(F)/C=C\C(=C)CNCN.CC
InChIInChI=1S/C8H13FN2.C2H6/c1-7(5-11-6-10)3-4-8(2)9;1-2/h3-4,11H,1-2,5-6,10H2;1-2H3/b4-3-;
InChIKeyKJQDRVMXSADPLI-LNKPDPKZSA-N
XLogP2.11
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.27
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;N'-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]methanediamine?
The IUPAC name of ethane;N'-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]methanediamine (CID 143671710) is ethane;N'-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]methanediamine.
What is the SMILES notation for ethane;N'-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]methanediamine?
The canonical SMILES for ethane;N'-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]methanediamine is C=C(F)/C=C\C(=C)CNCN.CC.
What is the InChIKey of ethane;N'-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]methanediamine?
The InChIKey is KJQDRVMXSADPLI-LNKPDPKZSA-N. The full InChI is InChI=1S/C8H13FN2.C2H6/c1-7(5-11-6-10)3-4-8(2)9;1-2/h3-4,11H,1-2,5-6,10H2;1-2H3/b4-3-;.
What are the key properties of ethane;N'-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]methanediamine?
ethane;N'-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]methanediamine has a molecular weight of 186.27 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N'-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]methanediamine is sourced from PubChem (CID 143671710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).