5-fluorohexa-3,4-dienylbenzene

C12H13F — CID 162374144

IUPAC5-fluorohexa-3,4-dienylbenzene
SMILESCC(F)=C=CCCc1ccccc1
InChIInChI=1S/C12H13F/c1-11(13)7-5-6-10-12-8-3-2-4-9-12/h2-5,8-9H,6,10H2,1H3
InChIKeyDZZDECXQHJIWDF-UHFFFAOYSA-N
MW176.23 g/mol
LogP3.65
Rot. Bonds3

About 5-fluorohexa-3,4-dienylbenzene

5-fluorohexa-3,4-dienylbenzene (PubChem CID 162374144) has the molecular formula C12H13F and a molecular weight of 176.23 g/mol. Its IUPAC name is 5-fluorohexa-3,4-dienylbenzene.

Molecular Properties

Compound Name5-fluorohexa-3,4-dienylbenzene
PubChem CID162374144
Molecular FormulaC12H13F
Molecular Weight176.23 g/mol
Exact Mass176.10
IUPAC Name5-fluorohexa-3,4-dienylbenzene
SMILESCC(F)=C=CCCc1ccccc1
InChIInChI=1S/C12H13F/c1-11(13)7-5-6-10-12-8-3-2-4-9-12/h2-5,8-9H,6,10H2,1H3
InChIKeyDZZDECXQHJIWDF-UHFFFAOYSA-N
XLogP3.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.23
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(5-benzyl-6-methylhepta-3,4,6-trienyl)benzene
CID 102158622
4-chloropent-3-enylbenzene
CID 71383765
(4-bromo-4-fluorobut-3-enyl)benzene
CID 71421113
(5,5,5-trifluoro-4-methylpent-3-enyl)benzene
CID 131871830
(3-methyl-6-phenylhex-3-enyl)benzene
CID 175487597
[(3E)-6,6-difluorohexa-3,5-dienyl]benzene
CID 14665877
[(E)-4,5-dimethylhex-3-enyl]benzene
CID 14959713
2-methylocta-2,3-dienylbenzene
CID 42604070
pent-3-enylbenzene
CID 519421
5,5-difluoropent-4-enylbenzene
CID 15268524
ethyl 6-phenylhexa-2,3-dienoate
CID 122224690
[(E)-4-cyclohexylpent-3-enyl]benzene
CID 14982517

Frequently Asked Questions

What is the IUPAC name of 5-fluorohexa-3,4-dienylbenzene?
The IUPAC name of 5-fluorohexa-3,4-dienylbenzene (CID 162374144) is 5-fluorohexa-3,4-dienylbenzene.
What is the SMILES notation for 5-fluorohexa-3,4-dienylbenzene?
The canonical SMILES for 5-fluorohexa-3,4-dienylbenzene is CC(F)=C=CCCc1ccccc1.
What is the InChIKey of 5-fluorohexa-3,4-dienylbenzene?
The InChIKey is DZZDECXQHJIWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F/c1-11(13)7-5-6-10-12-8-3-2-4-9-12/h2-5,8-9H,6,10H2,1H3.
What are the key properties of 5-fluorohexa-3,4-dienylbenzene?
5-fluorohexa-3,4-dienylbenzene has a molecular weight of 176.23 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluorohexa-3,4-dienylbenzene is sourced from PubChem (CID 162374144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).