[(3E)-5-fluorohepta-3,5-dien-3-yl]benzene

C13H15F — CID 155725923

IUPAC[(3E)-5-fluorohepta-3,5-dien-3-yl]benzene
SMILESCC=C(F)/C=C(\CC)c1ccccc1
InChIInChI=1S/C13H15F/c1-3-11(10-13(14)4-2)12-8-6-5-7-9-12/h4-10H,3H2,1-2H3/b11-10+,13-4?
InChIKeyHXTDCFFEKWEYMW-KKSIXNQLSA-N
MW190.26 g/mol
LogP4.35
Rot. Bonds3

About [(3E)-5-fluorohepta-3,5-dien-3-yl]benzene

[(3E)-5-fluorohepta-3,5-dien-3-yl]benzene (PubChem CID 155725923) has the molecular formula C13H15F and a molecular weight of 190.26 g/mol. Its IUPAC name is [(3E)-5-fluorohepta-3,5-dien-3-yl]benzene.

Molecular Properties

Compound Name[(3E)-5-fluorohepta-3,5-dien-3-yl]benzene
PubChem CID155725923
Molecular FormulaC13H15F
Molecular Weight190.26 g/mol
Exact Mass190.12
IUPAC Name[(3E)-5-fluorohepta-3,5-dien-3-yl]benzene
SMILESCC=C(F)/C=C(\CC)c1ccccc1
InChIInChI=1S/C13H15F/c1-3-11(10-13(14)4-2)12-8-6-5-7-9-12/h4-10H,3H2,1-2H3/b11-10+,13-4?
InChIKeyHXTDCFFEKWEYMW-KKSIXNQLSA-N
XLogP4.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.26
LogP ≤ 54.35
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

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Frequently Asked Questions

What is the IUPAC name of [(3E)-5-fluorohepta-3,5-dien-3-yl]benzene?
The IUPAC name of [(3E)-5-fluorohepta-3,5-dien-3-yl]benzene (CID 155725923) is [(3E)-5-fluorohepta-3,5-dien-3-yl]benzene.
What is the SMILES notation for [(3E)-5-fluorohepta-3,5-dien-3-yl]benzene?
The canonical SMILES for [(3E)-5-fluorohepta-3,5-dien-3-yl]benzene is CC=C(F)/C=C(\CC)c1ccccc1.
What is the InChIKey of [(3E)-5-fluorohepta-3,5-dien-3-yl]benzene?
The InChIKey is HXTDCFFEKWEYMW-KKSIXNQLSA-N. The full InChI is InChI=1S/C13H15F/c1-3-11(10-13(14)4-2)12-8-6-5-7-9-12/h4-10H,3H2,1-2H3/b11-10+,13-4?.
What are the key properties of [(3E)-5-fluorohepta-3,5-dien-3-yl]benzene?
[(3E)-5-fluorohepta-3,5-dien-3-yl]benzene has a molecular weight of 190.26 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E)-5-fluorohepta-3,5-dien-3-yl]benzene is sourced from PubChem (CID 155725923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).