[(E)-1-fluorohex-3-enyl]benzene

C12H15F — CID 132568386

IUPAC[(E)-1-fluorohex-3-enyl]benzene
SMILESCC/C=C/CC(F)c1ccccc1
InChIInChI=1S/C12H15F/c1-2-3-5-10-12(13)11-8-6-4-7-9-11/h3-9,12H,2,10H2,1H3/b5-3+
InChIKeyGJRGLMPMCRCOLB-HWKANZROSA-N
MW178.25 g/mol
LogP4.05
Rot. Bonds4

About [(E)-1-fluorohex-3-enyl]benzene

[(E)-1-fluorohex-3-enyl]benzene (PubChem CID 132568386) has the molecular formula C12H15F and a molecular weight of 178.25 g/mol. Its IUPAC name is [(E)-1-fluorohex-3-enyl]benzene.

Molecular Properties

Compound Name[(E)-1-fluorohex-3-enyl]benzene
PubChem CID132568386
Molecular FormulaC12H15F
Molecular Weight178.25 g/mol
Exact Mass178.12
IUPAC Name[(E)-1-fluorohex-3-enyl]benzene
SMILESCC/C=C/CC(F)c1ccccc1
InChIInChI=1S/C12H15F/c1-2-3-5-10-12(13)11-8-6-4-7-9-11/h3-9,12H,2,10H2,1H3/b5-3+
InChIKeyGJRGLMPMCRCOLB-HWKANZROSA-N
XLogP4.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.25
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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(1-fluoro-1-phenylpentan-3-yl)benzene
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1-bromonona-3,6-dienyl(triphenyl)phosphanium
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(E)-1,1-diphenylhex-3-en-2-one
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1-[(4R,5R)-5-[(Z)-hept-4-en-2-yl]-4-methylcyclohexen-1-yl]ethylbenzene
CID 163663337
(Z,3E)-3-ethylidene-1-phenylhept-4-ene-1,2-diamine
CID 153400130
[(Z)-non-6-en-1-yn-3-yl]benzene
CID 155708108
N-[(E)-hept-4-enyl]aniline
CID 101291016
anthracene;(E)-hex-3-ene;propane
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1,2-bis(but-1-enyl)benzene
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Frequently Asked Questions

What is the IUPAC name of [(E)-1-fluorohex-3-enyl]benzene?
The IUPAC name of [(E)-1-fluorohex-3-enyl]benzene (CID 132568386) is [(E)-1-fluorohex-3-enyl]benzene.
What is the SMILES notation for [(E)-1-fluorohex-3-enyl]benzene?
The canonical SMILES for [(E)-1-fluorohex-3-enyl]benzene is CC/C=C/CC(F)c1ccccc1.
What is the InChIKey of [(E)-1-fluorohex-3-enyl]benzene?
The InChIKey is GJRGLMPMCRCOLB-HWKANZROSA-N. The full InChI is InChI=1S/C12H15F/c1-2-3-5-10-12(13)11-8-6-4-7-9-11/h3-9,12H,2,10H2,1H3/b5-3+.
What are the key properties of [(E)-1-fluorohex-3-enyl]benzene?
[(E)-1-fluorohex-3-enyl]benzene has a molecular weight of 178.25 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-fluorohex-3-enyl]benzene is sourced from PubChem (CID 132568386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).