(3Z,5E)-5-amino-7-fluoro-2-methylidenehepta-3,5-dienenitrile

C8H9FN2 — CID 146642451

IUPAC(3Z,5E)-5-amino-7-fluoro-2-methylidenehepta-3,5-dienenitrile
SMILESC=C(C#N)/C=C\C(N)=C/CF
InChIInChI=1S/C8H9FN2/c1-7(6-10)2-3-8(11)4-5-9/h2-4H,1,5,11H2/b3-2-,8-4+
InChIKeyCMGWQEZWTNNCGC-SOBRUKQLSA-N
MW152.17 g/mol
LogP1.43
Rot. Bonds3

About (3Z,5E)-5-amino-7-fluoro-2-methylidenehepta-3,5-dienenitrile

(3Z,5E)-5-amino-7-fluoro-2-methylidenehepta-3,5-dienenitrile (PubChem CID 146642451) has the molecular formula C8H9FN2 and a molecular weight of 152.17 g/mol. Its IUPAC name is (3Z,5E)-5-amino-7-fluoro-2-methylidenehepta-3,5-dienenitrile.

Molecular Properties

Compound Name(3Z,5E)-5-amino-7-fluoro-2-methylidenehepta-3,5-dienenitrile
PubChem CID146642451
Molecular FormulaC8H9FN2
Molecular Weight152.17 g/mol
Exact Mass152.07
IUPAC Name(3Z,5E)-5-amino-7-fluoro-2-methylidenehepta-3,5-dienenitrile
SMILESC=C(C#N)/C=C\C(N)=C/CF
InChIInChI=1S/C8H9FN2/c1-7(6-10)2-3-8(11)4-5-9/h2-4H,1,5,11H2/b3-2-,8-4+
InChIKeyCMGWQEZWTNNCGC-SOBRUKQLSA-N
XLogP1.43
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.17
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-5-amino-7-fluoro-2-methylidenehepta-3,5-dienenitrile?
The IUPAC name of (3Z,5E)-5-amino-7-fluoro-2-methylidenehepta-3,5-dienenitrile (CID 146642451) is (3Z,5E)-5-amino-7-fluoro-2-methylidenehepta-3,5-dienenitrile.
What is the SMILES notation for (3Z,5E)-5-amino-7-fluoro-2-methylidenehepta-3,5-dienenitrile?
The canonical SMILES for (3Z,5E)-5-amino-7-fluoro-2-methylidenehepta-3,5-dienenitrile is C=C(C#N)/C=C\C(N)=C/CF.
What is the InChIKey of (3Z,5E)-5-amino-7-fluoro-2-methylidenehepta-3,5-dienenitrile?
The InChIKey is CMGWQEZWTNNCGC-SOBRUKQLSA-N. The full InChI is InChI=1S/C8H9FN2/c1-7(6-10)2-3-8(11)4-5-9/h2-4H,1,5,11H2/b3-2-,8-4+.
What are the key properties of (3Z,5E)-5-amino-7-fluoro-2-methylidenehepta-3,5-dienenitrile?
(3Z,5E)-5-amino-7-fluoro-2-methylidenehepta-3,5-dienenitrile has a molecular weight of 152.17 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-5-amino-7-fluoro-2-methylidenehepta-3,5-dienenitrile is sourced from PubChem (CID 146642451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).