1-[(E)-4-ethenylhex-4-en-3-yl]-4-fluorobenzene

C14H17F — CID 166983011

IUPAC1-[(E)-4-ethenylhex-4-en-3-yl]-4-fluorobenzene
SMILESC=C/C(=C\C)C(CC)c1ccc(F)cc1
InChIInChI=1S/C14H17F/c1-4-11(5-2)14(6-3)12-7-9-13(15)10-8-12/h4-5,7-10,14H,1,6H2,2-3H3/b11-5+
InChIKeyJEIZVZNWCFPNPM-VZUCSPMQSA-N
MW204.29 g/mol
LogP4.45
Rot. Bonds4

About 1-[(E)-4-ethenylhex-4-en-3-yl]-4-fluorobenzene

1-[(E)-4-ethenylhex-4-en-3-yl]-4-fluorobenzene (PubChem CID 166983011) has the molecular formula C14H17F and a molecular weight of 204.29 g/mol. Its IUPAC name is 1-[(E)-4-ethenylhex-4-en-3-yl]-4-fluorobenzene.

Molecular Properties

Compound Name1-[(E)-4-ethenylhex-4-en-3-yl]-4-fluorobenzene
PubChem CID166983011
Molecular FormulaC14H17F
Molecular Weight204.29 g/mol
Exact Mass204.13
IUPAC Name1-[(E)-4-ethenylhex-4-en-3-yl]-4-fluorobenzene
SMILESC=C/C(=C\C)C(CC)c1ccc(F)cc1
InChIInChI=1S/C14H17F/c1-4-11(5-2)14(6-3)12-7-9-13(15)10-8-12/h4-5,7-10,14H,1,6H2,2-3H3/b11-5+
InChIKeyJEIZVZNWCFPNPM-VZUCSPMQSA-N
XLogP4.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 54.45
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

1-butan-2-yl-4-fluorobenzene
CID 11829648
(2R)-2-(4-fluorophenyl)pent-4-enamide
CID 101191870
5-(4-fluorophenyl)hex-1-en-3-one
CID 144795052
(2S)-2-(4-fluorophenyl)pent-4-enoyl chloride
CID 15536025
(E)-2-[2-(4-fluorophenyl)butanoylamino]hex-4-enoic acid
CID 120692963
2-[2-(4-fluorophenyl)butanoylamino]propanoic acid
CID 120523636
2-[2-(4-fluorophenyl)butanoylamino]butanoic acid
CID 120523263
(3Z)-4-(4-fluorophenyl)hexa-3,5-diene-3-thiol
CID 126611428
3-[(4E)-4-(methoxymethylidene)hex-5-en-3-yl]thiophene
CID 142097110
4-[2-(4-fluorophenyl)butanoylamino]butanoic acid
CID 120513410
3-[2-(4-fluorophenyl)butanoylamino]-2-phenylpropanoic acid
CID 120528828
1-amino-4-(4-fluorophenyl)hexan-2-ol
CID 83930990

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-4-ethenylhex-4-en-3-yl]-4-fluorobenzene?
The IUPAC name of 1-[(E)-4-ethenylhex-4-en-3-yl]-4-fluorobenzene (CID 166983011) is 1-[(E)-4-ethenylhex-4-en-3-yl]-4-fluorobenzene.
What is the SMILES notation for 1-[(E)-4-ethenylhex-4-en-3-yl]-4-fluorobenzene?
The canonical SMILES for 1-[(E)-4-ethenylhex-4-en-3-yl]-4-fluorobenzene is C=C/C(=C\C)C(CC)c1ccc(F)cc1.
What is the InChIKey of 1-[(E)-4-ethenylhex-4-en-3-yl]-4-fluorobenzene?
The InChIKey is JEIZVZNWCFPNPM-VZUCSPMQSA-N. The full InChI is InChI=1S/C14H17F/c1-4-11(5-2)14(6-3)12-7-9-13(15)10-8-12/h4-5,7-10,14H,1,6H2,2-3H3/b11-5+.
What are the key properties of 1-[(E)-4-ethenylhex-4-en-3-yl]-4-fluorobenzene?
1-[(E)-4-ethenylhex-4-en-3-yl]-4-fluorobenzene has a molecular weight of 204.29 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-4-ethenylhex-4-en-3-yl]-4-fluorobenzene is sourced from PubChem (CID 166983011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).