3-ethenyl-4-fluorohexa-1,3,5-triene

C8H9F — CID 143823986

IUPAC3-ethenyl-4-fluorohexa-1,3,5-triene
SMILESC=CC(F)=C(C=C)C=C
InChIInChI=1S/C8H9F/c1-4-7(5-2)8(9)6-3/h4-6H,1-3H2
InChIKeyBPDIYQCHYPKHSM-UHFFFAOYSA-N
MW124.16 g/mol
LogP2.77
Rot. Bonds3

About 3-ethenyl-4-fluorohexa-1,3,5-triene

3-ethenyl-4-fluorohexa-1,3,5-triene (PubChem CID 143823986) has the molecular formula C8H9F and a molecular weight of 124.16 g/mol. Its IUPAC name is 3-ethenyl-4-fluorohexa-1,3,5-triene.

Molecular Properties

Compound Name3-ethenyl-4-fluorohexa-1,3,5-triene
PubChem CID143823986
Molecular FormulaC8H9F
Molecular Weight124.16 g/mol
Exact Mass124.07
IUPAC Name3-ethenyl-4-fluorohexa-1,3,5-triene
SMILESC=CC(F)=C(C=C)C=C
InChIInChI=1S/C8H9F/c1-4-7(5-2)8(9)6-3/h4-6H,1-3H2
InChIKeyBPDIYQCHYPKHSM-UHFFFAOYSA-N
XLogP2.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.16
LogP ≤ 52.77
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

[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]phosphane
CID 155693231
2-fluorobuta-1,3-diene
CID 551655
ethane;(3E)-3-fluoro-4,6-dimethylhepta-1,3,5-triene
CID 176957823
azane;prop-2-enoyl fluoride
CID 175429328
(2E)-2-ethenyl-4-fluoropenta-2,4-dienenitrile
CID 143547944
(2E)-3-fluoro-2-(methylideneamino)penta-2,4-dien-1-amine
CID 142099703
(3E)-2,4-difluoro-3-propan-2-ylhexa-1,3,5-triene
CID 145074832
vinylsiloxanol
CID 18696394
(3Z)-3,4-difluoro-2-methylidenehexa-3,5-dienoyl chloride
CID 142993979
hypochlorous acid;prop-2-enoyl fluoride
CID 175192518
hexakis(carbonofluoridic acid);prop-2-enoic acid
CID 175140796
4-bromo-3-fluoro-7-methylocta-1,3,5-triene
CID 123787783

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-4-fluorohexa-1,3,5-triene?
The IUPAC name of 3-ethenyl-4-fluorohexa-1,3,5-triene (CID 143823986) is 3-ethenyl-4-fluorohexa-1,3,5-triene.
What is the SMILES notation for 3-ethenyl-4-fluorohexa-1,3,5-triene?
The canonical SMILES for 3-ethenyl-4-fluorohexa-1,3,5-triene is C=CC(F)=C(C=C)C=C.
What is the InChIKey of 3-ethenyl-4-fluorohexa-1,3,5-triene?
The InChIKey is BPDIYQCHYPKHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F/c1-4-7(5-2)8(9)6-3/h4-6H,1-3H2.
What are the key properties of 3-ethenyl-4-fluorohexa-1,3,5-triene?
3-ethenyl-4-fluorohexa-1,3,5-triene has a molecular weight of 124.16 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-4-fluorohexa-1,3,5-triene is sourced from PubChem (CID 143823986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).