(4E,5Z)-4-ethylidene-5-fluoro-2,8-dimethylnona-2,5-diene

C13H21F — CID 143665023

IUPAC(4E,5Z)-4-ethylidene-5-fluoro-2,8-dimethylnona-2,5-diene
SMILESC/C=C(C=C(C)C)/C(F)=C/CC(C)C
InChIInChI=1S/C13H21F/c1-6-12(9-11(4)5)13(14)8-7-10(2)3/h6,8-10H,7H2,1-5H3/b12-6+,13-8-
InChIKeyTYFAUBQEJLIJQE-IOAOBRTFSA-N
MW196.31 g/mol
LogP4.80
Rot. Bonds4

About (4E,5Z)-4-ethylidene-5-fluoro-2,8-dimethylnona-2,5-diene

(4E,5Z)-4-ethylidene-5-fluoro-2,8-dimethylnona-2,5-diene (PubChem CID 143665023) has the molecular formula C13H21F and a molecular weight of 196.31 g/mol. Its IUPAC name is (4E,5Z)-4-ethylidene-5-fluoro-2,8-dimethylnona-2,5-diene.

Molecular Properties

Compound Name(4E,5Z)-4-ethylidene-5-fluoro-2,8-dimethylnona-2,5-diene
PubChem CID143665023
Molecular FormulaC13H21F
Molecular Weight196.31 g/mol
Exact Mass196.16
IUPAC Name(4E,5Z)-4-ethylidene-5-fluoro-2,8-dimethylnona-2,5-diene
SMILESC/C=C(C=C(C)C)/C(F)=C/CC(C)C
InChIInChI=1S/C13H21F/c1-6-12(9-11(4)5)13(14)8-7-10(2)3/h6,8-10H,7H2,1-5H3/b12-6+,13-8-
InChIKeyTYFAUBQEJLIJQE-IOAOBRTFSA-N
XLogP4.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.31
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (4E,5Z)-4-ethylidene-5-fluoro-2,8-dimethylnona-2,5-diene with MolForge

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

Launch Full Analysis

Related Compounds

2-[(E)-1-fluoroprop-1-enyl]-5-methylhex-2-en-1-amine
CID 174062178
(3E,6E)-3-fluoro-6,9-dimethyl-5-methylidenedeca-1,3,6-triene
CID 143772459
(E)-2,2,3,6-tetramethylhept-3-ene
CID 13070117
(4E,5E,6E)-4,5-di(ethylidene)-2,7-dimethylnona-2,6-diene
CID 144520293
3-(3-methylbutylidene)pentane-2,4-dione
CID 12838642
N-[(Z)-5-methylhex-2-en-2-yl]propan-1-imine
CID 135192518
(6E,10E,14E)-2,6,10,14,17-pentamethyloctadeca-2,6,10,14-tetraene
CID 140685405
(E)-2,5,6-trimethyloct-4-ene
CID 144800486
(Z)-2,5-dimethylhex-2-enenitrile
CID 135253424
(E)-2,5-dimethyloct-4-ene
CID 173056267
2-methylbutane;bis(2-methylbut-2-ene)
CID 162288148
(3Z,5E)-2,5-difluoro-4-propan-2-ylhepta-1,3,5-triene
CID 149203613

Frequently Asked Questions

What is the IUPAC name of (4E,5Z)-4-ethylidene-5-fluoro-2,8-dimethylnona-2,5-diene?
The IUPAC name of (4E,5Z)-4-ethylidene-5-fluoro-2,8-dimethylnona-2,5-diene (CID 143665023) is (4E,5Z)-4-ethylidene-5-fluoro-2,8-dimethylnona-2,5-diene.
What is the SMILES notation for (4E,5Z)-4-ethylidene-5-fluoro-2,8-dimethylnona-2,5-diene?
The canonical SMILES for (4E,5Z)-4-ethylidene-5-fluoro-2,8-dimethylnona-2,5-diene is C/C=C(C=C(C)C)/C(F)=C/CC(C)C.
What is the InChIKey of (4E,5Z)-4-ethylidene-5-fluoro-2,8-dimethylnona-2,5-diene?
The InChIKey is TYFAUBQEJLIJQE-IOAOBRTFSA-N. The full InChI is InChI=1S/C13H21F/c1-6-12(9-11(4)5)13(14)8-7-10(2)3/h6,8-10H,7H2,1-5H3/b12-6+,13-8-.
What are the key properties of (4E,5Z)-4-ethylidene-5-fluoro-2,8-dimethylnona-2,5-diene?
(4E,5Z)-4-ethylidene-5-fluoro-2,8-dimethylnona-2,5-diene has a molecular weight of 196.31 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5Z)-4-ethylidene-5-fluoro-2,8-dimethylnona-2,5-diene is sourced from PubChem (CID 143665023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).