(9Z)-9-fluoro-5,6-dimethylideneundeca-1,9-diene

C13H19F — CID 155053248

IUPAC(9Z)-9-fluoro-5,6-dimethylideneundeca-1,9-diene
SMILESC=CCCC(=C)C(=C)CC/C(F)=C/C
InChIInChI=1S/C13H19F/c1-5-7-8-11(3)12(4)9-10-13(14)6-2/h5-6H,1,3-4,7-10H2,2H3/b13-6-
InChIKeyLYZLSPPIONVCEU-MLPAPPSSSA-N
MW194.29 g/mol
LogP4.72
Rot. Bonds7

About (9Z)-9-fluoro-5,6-dimethylideneundeca-1,9-diene

(9Z)-9-fluoro-5,6-dimethylideneundeca-1,9-diene (PubChem CID 155053248) has the molecular formula C13H19F and a molecular weight of 194.29 g/mol. Its IUPAC name is (9Z)-9-fluoro-5,6-dimethylideneundeca-1,9-diene.

Molecular Properties

Compound Name(9Z)-9-fluoro-5,6-dimethylideneundeca-1,9-diene
PubChem CID155053248
Molecular FormulaC13H19F
Molecular Weight194.29 g/mol
Exact Mass194.15
IUPAC Name(9Z)-9-fluoro-5,6-dimethylideneundeca-1,9-diene
SMILESC=CCCC(=C)C(=C)CC/C(F)=C/C
InChIInChI=1S/C13H19F/c1-5-7-8-11(3)12(4)9-10-13(14)6-2/h5-6H,1,3-4,7-10H2,2H3/b13-6-
InChIKeyLYZLSPPIONVCEU-MLPAPPSSSA-N
XLogP4.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.29
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

hexa-1,5-dien-2-ol
CID 71321875
methyl 2-methylidenehex-5-enoate
CID 12706152
5-methylhepta-1,5-diene
CID 54049787
5-methylidenehept-1-ene
CID 54202269
(5E)-5-bromohepta-1,5-diene
CID 163878412
ethane;(5Z)-5-methylhepta-1,5-diene
CID 142997772
ethyl 2-methylidenehex-5-enoate
CID 10855685
ethane;N-fluoro-N-methylhexa-1,5-dien-2-amine
CID 162360697
ethane;2-methylhexa-1,5-diene;molecular hydrogen
CID 144513072
2-[(2E)-2-ethylidenehex-5-enyl]oxirane
CID 145170362
2-methylidene-N-propan-2-ylhex-5-enamide
CID 14418381
(2E,4Z)-2,5-dimethyl-6-methylidenedeca-2,4,9-trien-1-amine
CID 88957085

Frequently Asked Questions

What is the IUPAC name of (9Z)-9-fluoro-5,6-dimethylideneundeca-1,9-diene?
The IUPAC name of (9Z)-9-fluoro-5,6-dimethylideneundeca-1,9-diene (CID 155053248) is (9Z)-9-fluoro-5,6-dimethylideneundeca-1,9-diene.
What is the SMILES notation for (9Z)-9-fluoro-5,6-dimethylideneundeca-1,9-diene?
The canonical SMILES for (9Z)-9-fluoro-5,6-dimethylideneundeca-1,9-diene is C=CCCC(=C)C(=C)CC/C(F)=C/C.
What is the InChIKey of (9Z)-9-fluoro-5,6-dimethylideneundeca-1,9-diene?
The InChIKey is LYZLSPPIONVCEU-MLPAPPSSSA-N. The full InChI is InChI=1S/C13H19F/c1-5-7-8-11(3)12(4)9-10-13(14)6-2/h5-6H,1,3-4,7-10H2,2H3/b13-6-.
What are the key properties of (9Z)-9-fluoro-5,6-dimethylideneundeca-1,9-diene?
(9Z)-9-fluoro-5,6-dimethylideneundeca-1,9-diene has a molecular weight of 194.29 g/mol, XLogP of 4.72, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z)-9-fluoro-5,6-dimethylideneundeca-1,9-diene is sourced from PubChem (CID 155053248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).