(2Z,3Z)-5-amino-2-(3-fluoro-3-methylbutan-2-ylidene)hexa-3,5-dienenitrile

C11H15FN2 — CID 166664510

IUPAC(2Z,3Z)-5-amino-2-(3-fluoro-3-methylbutan-2-ylidene)hexa-3,5-dienenitrile
SMILESC=C(N)/C=C\C(C#N)=C(/C)C(C)(C)F
InChIInChI=1S/C11H15FN2/c1-8(14)5-6-10(7-13)9(2)11(3,4)12/h5-6H,1,14H2,2-4H3/b6-5-,10-9-
InChIKeyBIKBUBCZTFGMOR-WBHJMADESA-N
MW194.25 g/mol
LogP2.60
Rot. Bonds3

About (2Z,3Z)-5-amino-2-(3-fluoro-3-methylbutan-2-ylidene)hexa-3,5-dienenitrile

(2Z,3Z)-5-amino-2-(3-fluoro-3-methylbutan-2-ylidene)hexa-3,5-dienenitrile (PubChem CID 166664510) has the molecular formula C11H15FN2 and a molecular weight of 194.25 g/mol. Its IUPAC name is (2Z,3Z)-5-amino-2-(3-fluoro-3-methylbutan-2-ylidene)hexa-3,5-dienenitrile.

Molecular Properties

Compound Name(2Z,3Z)-5-amino-2-(3-fluoro-3-methylbutan-2-ylidene)hexa-3,5-dienenitrile
PubChem CID166664510
Molecular FormulaC11H15FN2
Molecular Weight194.25 g/mol
Exact Mass194.12
IUPAC Name(2Z,3Z)-5-amino-2-(3-fluoro-3-methylbutan-2-ylidene)hexa-3,5-dienenitrile
SMILESC=C(N)/C=C\C(C#N)=C(/C)C(C)(C)F
InChIInChI=1S/C11H15FN2/c1-8(14)5-6-10(7-13)9(2)11(3,4)12/h5-6H,1,14H2,2-4H3/b6-5-,10-9-
InChIKeyBIKBUBCZTFGMOR-WBHJMADESA-N
XLogP2.60
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 52.60
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'}

Analyze (2Z,3Z)-5-amino-2-(3-fluoro-3-methylbutan-2-ylidene)hexa-3,5-dienenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2Z,3Z)-5-amino-2-(3-fluoro-3-methylbutan-2-ylidene)hexa-3,5-dienenitrile?
The IUPAC name of (2Z,3Z)-5-amino-2-(3-fluoro-3-methylbutan-2-ylidene)hexa-3,5-dienenitrile (CID 166664510) is (2Z,3Z)-5-amino-2-(3-fluoro-3-methylbutan-2-ylidene)hexa-3,5-dienenitrile.
What is the SMILES notation for (2Z,3Z)-5-amino-2-(3-fluoro-3-methylbutan-2-ylidene)hexa-3,5-dienenitrile?
The canonical SMILES for (2Z,3Z)-5-amino-2-(3-fluoro-3-methylbutan-2-ylidene)hexa-3,5-dienenitrile is C=C(N)/C=C\C(C#N)=C(/C)C(C)(C)F.
What is the InChIKey of (2Z,3Z)-5-amino-2-(3-fluoro-3-methylbutan-2-ylidene)hexa-3,5-dienenitrile?
The InChIKey is BIKBUBCZTFGMOR-WBHJMADESA-N. The full InChI is InChI=1S/C11H15FN2/c1-8(14)5-6-10(7-13)9(2)11(3,4)12/h5-6H,1,14H2,2-4H3/b6-5-,10-9-.
What are the key properties of (2Z,3Z)-5-amino-2-(3-fluoro-3-methylbutan-2-ylidene)hexa-3,5-dienenitrile?
(2Z,3Z)-5-amino-2-(3-fluoro-3-methylbutan-2-ylidene)hexa-3,5-dienenitrile has a molecular weight of 194.25 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,3Z)-5-amino-2-(3-fluoro-3-methylbutan-2-ylidene)hexa-3,5-dienenitrile is sourced from PubChem (CID 166664510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).