(2E,4Z)-5-ethenyl-3-fluoronona-2,4-diene

C11H17F — CID 146517614

IUPAC(2E,4Z)-5-ethenyl-3-fluoronona-2,4-diene
SMILESC=C/C(=C\C(F)=C/C)CCCC
InChIInChI=1S/C11H17F/c1-4-7-8-10(5-2)9-11(12)6-3/h5-6,9H,2,4,7-8H2,1,3H3/b10-9+,11-6+
InChIKeyNSIRRYOPVJITDH-HUJSXLBNSA-N
MW168.25 g/mol
LogP4.16
Rot. Bonds5

About (2E,4Z)-5-ethenyl-3-fluoronona-2,4-diene

(2E,4Z)-5-ethenyl-3-fluoronona-2,4-diene (PubChem CID 146517614) has the molecular formula C11H17F and a molecular weight of 168.25 g/mol. Its IUPAC name is (2E,4Z)-5-ethenyl-3-fluoronona-2,4-diene.

Molecular Properties

Compound Name(2E,4Z)-5-ethenyl-3-fluoronona-2,4-diene
PubChem CID146517614
Molecular FormulaC11H17F
Molecular Weight168.25 g/mol
Exact Mass168.13
IUPAC Name(2E,4Z)-5-ethenyl-3-fluoronona-2,4-diene
SMILESC=C/C(=C\C(F)=C/C)CCCC
InChIInChI=1S/C11H17F/c1-4-7-8-10(5-2)9-11(12)6-3/h5-6,9H,2,4,7-8H2,1,3H3/b10-9+,11-6+
InChIKeyNSIRRYOPVJITDH-HUJSXLBNSA-N
XLogP4.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.25
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-ethylideneoct-1-ene
CID 91511297
(1E,3Z)-4-ethenyl-1-fluoronona-1,3-diene
CID 158832591
(5E,7E)-5-ethenyl-7-fluoro-4-oxonona-5,7-dienoic acid
CID 156838042
ethane;(3Z)-4-[(Z)-prop-1-enyl]octa-1,3-diene
CID 142022123
5-(difluoromethylidene)nonane
CID 86233125
5-(3-oxonona-1,4-dien-5-yloxy)nona-1,4-dien-3-one
CID 141174155
(3Z)-N-ethenyl-4-[(Z)-prop-1-enyl]octa-1,3-dien-2-amine
CID 155001940
(2E)-2-ethylidene-N-methylidenehexanamide
CID 129137077
(3Z)-4-ethyl-2-fluorohexa-1,3,5-triene
CID 142052803
3,4-dimethylocta-1,3-diene
CID 54003351
(3Z,5E)-3-ethenyl-5,7-difluorohepta-3,5-dienoic acid
CID 166850718
(E,5Z)-3-ethenyl-5-ethylidene-4-fluorodec-3-enoic acid
CID 145057784

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-5-ethenyl-3-fluoronona-2,4-diene?
The IUPAC name of (2E,4Z)-5-ethenyl-3-fluoronona-2,4-diene (CID 146517614) is (2E,4Z)-5-ethenyl-3-fluoronona-2,4-diene.
What is the SMILES notation for (2E,4Z)-5-ethenyl-3-fluoronona-2,4-diene?
The canonical SMILES for (2E,4Z)-5-ethenyl-3-fluoronona-2,4-diene is C=C/C(=C\C(F)=C/C)CCCC.
What is the InChIKey of (2E,4Z)-5-ethenyl-3-fluoronona-2,4-diene?
The InChIKey is NSIRRYOPVJITDH-HUJSXLBNSA-N. The full InChI is InChI=1S/C11H17F/c1-4-7-8-10(5-2)9-11(12)6-3/h5-6,9H,2,4,7-8H2,1,3H3/b10-9+,11-6+.
What are the key properties of (2E,4Z)-5-ethenyl-3-fluoronona-2,4-diene?
(2E,4Z)-5-ethenyl-3-fluoronona-2,4-diene has a molecular weight of 168.25 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-5-ethenyl-3-fluoronona-2,4-diene is sourced from PubChem (CID 146517614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).