[(2E,4E)-5-fluorohexa-2,4-dien-3-yl]benzene

C12H13F — CID 131995426

IUPAC[(2E,4E)-5-fluorohexa-2,4-dien-3-yl]benzene
SMILESC/C=C(\C=C(/C)F)c1ccccc1
InChIInChI=1S/C12H13F/c1-3-11(9-10(2)13)12-7-5-4-6-8-12/h3-9H,1-2H3/b10-9+,11-3+
InChIKeyGEOFWSXTBXSSSI-VVVHQUFHSA-N
MW176.23 g/mol
LogP3.96
Rot. Bonds2

About [(2E,4E)-5-fluorohexa-2,4-dien-3-yl]benzene

[(2E,4E)-5-fluorohexa-2,4-dien-3-yl]benzene (PubChem CID 131995426) has the molecular formula C12H13F and a molecular weight of 176.23 g/mol. Its IUPAC name is [(2E,4E)-5-fluorohexa-2,4-dien-3-yl]benzene.

Molecular Properties

Compound Name[(2E,4E)-5-fluorohexa-2,4-dien-3-yl]benzene
PubChem CID131995426
Molecular FormulaC12H13F
Molecular Weight176.23 g/mol
Exact Mass176.10
IUPAC Name[(2E,4E)-5-fluorohexa-2,4-dien-3-yl]benzene
SMILESC/C=C(\C=C(/C)F)c1ccccc1
InChIInChI=1S/C12H13F/c1-3-11(9-10(2)13)12-7-5-4-6-8-12/h3-9H,1-2H3/b10-9+,11-3+
InChIKeyGEOFWSXTBXSSSI-VVVHQUFHSA-N
XLogP3.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.23
LogP ≤ 53.96
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

(2E,4Z)-2-methyl-4-phenylhexa-2,4-dienoic acid
CID 170872983
(Z,Z)-N-(1-fluoro-2-methylprop-1-enyl)-2-phenylbut-2-en-1-imine
CID 155722490
methylidene-[(2E,4E)-4-phenylhexa-2,4-dien-2-yl]phosphane
CID 163826949
2-phenylbut-2-enal;hydrate
CID 172778769
N'-[(1E,3E)-1-chloro-3-phenylpenta-1,3-dienyl]benzenecarboximidamide
CID 174108934
2-fluoro-1-phenylprop-1-en-1-ol
CID 164853949
[(2E,4Z)-hepta-2,4,6-trien-3-yl]benzene
CID 12628363
(2Z,4E,7Z,9E)-4,9-diphenylundeca-2,4,7,9-tetraen-2-amine
CID 88551372
4,9-diphenylundeca-2,4,7,9-tetraen-2-amine
CID 123327967
4-phenylhexa-2,4-dien-3-ylbenzene
CID 2802592
(2Z,4E)-3-phenylhexa-2,4-dienoic acid
CID 10397589
[(3E)-5-fluorohepta-3,5-dien-3-yl]benzene
CID 155725923

Frequently Asked Questions

What is the IUPAC name of [(2E,4E)-5-fluorohexa-2,4-dien-3-yl]benzene?
The IUPAC name of [(2E,4E)-5-fluorohexa-2,4-dien-3-yl]benzene (CID 131995426) is [(2E,4E)-5-fluorohexa-2,4-dien-3-yl]benzene.
What is the SMILES notation for [(2E,4E)-5-fluorohexa-2,4-dien-3-yl]benzene?
The canonical SMILES for [(2E,4E)-5-fluorohexa-2,4-dien-3-yl]benzene is C/C=C(\C=C(/C)F)c1ccccc1.
What is the InChIKey of [(2E,4E)-5-fluorohexa-2,4-dien-3-yl]benzene?
The InChIKey is GEOFWSXTBXSSSI-VVVHQUFHSA-N. The full InChI is InChI=1S/C12H13F/c1-3-11(9-10(2)13)12-7-5-4-6-8-12/h3-9H,1-2H3/b10-9+,11-3+.
What are the key properties of [(2E,4E)-5-fluorohexa-2,4-dien-3-yl]benzene?
[(2E,4E)-5-fluorohexa-2,4-dien-3-yl]benzene has a molecular weight of 176.23 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,4E)-5-fluorohexa-2,4-dien-3-yl]benzene is sourced from PubChem (CID 131995426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).