(3E,5Z)-3-fluoro-6,7-dimethylnona-1,3,5-triene

C11H17F — CID 170710017

IUPAC(3E,5Z)-3-fluoro-6,7-dimethylnona-1,3,5-triene
SMILESC=C/C(F)=C\C=C(\C)C(C)CC
InChIInChI=1S/C11H17F/c1-5-9(3)10(4)7-8-11(12)6-2/h6-9H,2,5H2,1,3-4H3/b10-7-,11-8+
InChIKeyNYSLXZQZCDUNTG-BDLVGCLISA-N
MW168.25 g/mol
LogP4.02
Rot. Bonds4

About (3E,5Z)-3-fluoro-6,7-dimethylnona-1,3,5-triene

(3E,5Z)-3-fluoro-6,7-dimethylnona-1,3,5-triene (PubChem CID 170710017) has the molecular formula C11H17F and a molecular weight of 168.25 g/mol. Its IUPAC name is (3E,5Z)-3-fluoro-6,7-dimethylnona-1,3,5-triene.

Molecular Properties

Compound Name(3E,5Z)-3-fluoro-6,7-dimethylnona-1,3,5-triene
PubChem CID170710017
Molecular FormulaC11H17F
Molecular Weight168.25 g/mol
Exact Mass168.13
IUPAC Name(3E,5Z)-3-fluoro-6,7-dimethylnona-1,3,5-triene
SMILESC=C/C(F)=C\C=C(\C)C(C)CC
InChIInChI=1S/C11H17F/c1-5-9(3)10(4)7-8-11(12)6-2/h6-9H,2,5H2,1,3-4H3/b10-7-,11-8+
InChIKeyNYSLXZQZCDUNTG-BDLVGCLISA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.25
LogP ≤ 54.02
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

(3E,5Z,7R)-6,7-dimethylnona-1,3,5-trien-3-amine
CID 145244449
(3E,5E)-3,6-difluorohepta-1,3,5-triene
CID 126636482
(3E,5E)-7-chloro-3-fluoro-6-methylhepta-1,3,5-triene
CID 126711128
(Z)-4,5-dimethylhept-3-ene
CID 142511472
(3E,5E)-6-fluoro-3-methylocta-3,5,7-trien-2-one
CID 89271005
4-methylhex-1-en-3-one
CID 15724302
(3E,5E)-3-fluoro-6-methoxynona-1,3,5-triene
CID 155185239
(4E)-2,3,5,6-tetramethylocta-2,4-diene
CID 145376996
(E)-2,5,6-trimethyloct-4-ene
CID 144800486
1-[[(E)-3-ethenyl-4-methylhex-2-enylidene]amino]propan-2-one
CID 143480873
(3E)-5-methyl-4-(trifluoromethyl)hepta-1,3-diene
CID 138486545
5-fluorohepta-4,6-dien-2-ol
CID 123543230

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-3-fluoro-6,7-dimethylnona-1,3,5-triene?
The IUPAC name of (3E,5Z)-3-fluoro-6,7-dimethylnona-1,3,5-triene (CID 170710017) is (3E,5Z)-3-fluoro-6,7-dimethylnona-1,3,5-triene.
What is the SMILES notation for (3E,5Z)-3-fluoro-6,7-dimethylnona-1,3,5-triene?
The canonical SMILES for (3E,5Z)-3-fluoro-6,7-dimethylnona-1,3,5-triene is C=C/C(F)=C\C=C(\C)C(C)CC.
What is the InChIKey of (3E,5Z)-3-fluoro-6,7-dimethylnona-1,3,5-triene?
The InChIKey is NYSLXZQZCDUNTG-BDLVGCLISA-N. The full InChI is InChI=1S/C11H17F/c1-5-9(3)10(4)7-8-11(12)6-2/h6-9H,2,5H2,1,3-4H3/b10-7-,11-8+.
What are the key properties of (3E,5Z)-3-fluoro-6,7-dimethylnona-1,3,5-triene?
(3E,5Z)-3-fluoro-6,7-dimethylnona-1,3,5-triene has a molecular weight of 168.25 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-3-fluoro-6,7-dimethylnona-1,3,5-triene is sourced from PubChem (CID 170710017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).