acetylene;1-ethyl-4-[(2E,4Z)-3-fluorohexa-2,4-dienyl]benzene

C16H19F — CID 145118149

IUPACacetylene;1-ethyl-4-[(2E,4Z)-3-fluorohexa-2,4-dienyl]benzene
SMILESC#C.C/C=C\C(F)=C/Cc1ccc(CC)cc1
InChIInChI=1S/C14H17F.C2H2/c1-3-5-14(15)11-10-13-8-6-12(4-2)7-9-13;1-2/h3,5-9,11H,4,10H2,1-2H3;1-2H/b5-3-,14-11+;
InChIKeyDXJVGTKSEQZZNG-ANNHVDNVSA-N
MW230.33 g/mol
LogP4.47
Rot. Bonds4

About acetylene;1-ethyl-4-[(2E,4Z)-3-fluorohexa-2,4-dienyl]benzene

acetylene;1-ethyl-4-[(2E,4Z)-3-fluorohexa-2,4-dienyl]benzene (PubChem CID 145118149) has the molecular formula C16H19F and a molecular weight of 230.33 g/mol. Its IUPAC name is acetylene;1-ethyl-4-[(2E,4Z)-3-fluorohexa-2,4-dienyl]benzene.

Molecular Properties

Compound Nameacetylene;1-ethyl-4-[(2E,4Z)-3-fluorohexa-2,4-dienyl]benzene
PubChem CID145118149
Molecular FormulaC16H19F
Molecular Weight230.33 g/mol
Exact Mass230.15
IUPAC Nameacetylene;1-ethyl-4-[(2E,4Z)-3-fluorohexa-2,4-dienyl]benzene
SMILESC#C.C/C=C\C(F)=C/Cc1ccc(CC)cc1
InChIInChI=1S/C14H17F.C2H2/c1-3-5-14(15)11-10-13-8-6-12(4-2)7-9-13;1-2/h3,5-9,11H,4,10H2,1-2H3;1-2H/b5-3-,14-11+;
InChIKeyDXJVGTKSEQZZNG-ANNHVDNVSA-N
XLogP4.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-4-[(Z)-2-methylidenepent-3-enyl]benzene
CID 144912903
1,4-diethylbenzene;ethane
CID 91207141
alumane;1,4-diethylbenzene
CID 174296012
but-2-enylbenzene;ethylbenzene
CID 162289742
1-[(E)-but-2-en-2-yl]-4-ethylbenzene
CID 19784779
1-ethyl-4-[(3E,5Z)-4-ethylhepta-1,3,5-trien-3-yl]benzene
CID 143819695
1,4-diethylbenzene;ethane;methane
CID 166131756
acetylene;(Z)-but-2-ene;ethane;1-ethyl-4-(2-ethylsulfanylethyl)benzene
CID 142845646
1-butyl-4-[(3Z,5E)-7-(4-ethylphenyl)-5-fluorohepta-1,3,5-trien-4-yl]benzene
CID 134174223
1-ethyl-4-[(Z)-2,3,3,3-tetrafluoroprop-1-enyl]benzene
CID 125477277
(Z)-but-2-ene;4-ethylbenzamide
CID 143666599
N-[(1E,3E)-1-(4-ethylphenyl)penta-1,3-dien-3-yl]hydroxylamine
CID 143411666

Frequently Asked Questions

What is the IUPAC name of acetylene;1-ethyl-4-[(2E,4Z)-3-fluorohexa-2,4-dienyl]benzene?
The IUPAC name of acetylene;1-ethyl-4-[(2E,4Z)-3-fluorohexa-2,4-dienyl]benzene (CID 145118149) is acetylene;1-ethyl-4-[(2E,4Z)-3-fluorohexa-2,4-dienyl]benzene.
What is the SMILES notation for acetylene;1-ethyl-4-[(2E,4Z)-3-fluorohexa-2,4-dienyl]benzene?
The canonical SMILES for acetylene;1-ethyl-4-[(2E,4Z)-3-fluorohexa-2,4-dienyl]benzene is C#C.C/C=C\C(F)=C/Cc1ccc(CC)cc1.
What is the InChIKey of acetylene;1-ethyl-4-[(2E,4Z)-3-fluorohexa-2,4-dienyl]benzene?
The InChIKey is DXJVGTKSEQZZNG-ANNHVDNVSA-N. The full InChI is InChI=1S/C14H17F.C2H2/c1-3-5-14(15)11-10-13-8-6-12(4-2)7-9-13;1-2/h3,5-9,11H,4,10H2,1-2H3;1-2H/b5-3-,14-11+;.
What are the key properties of acetylene;1-ethyl-4-[(2E,4Z)-3-fluorohexa-2,4-dienyl]benzene?
acetylene;1-ethyl-4-[(2E,4Z)-3-fluorohexa-2,4-dienyl]benzene has a molecular weight of 230.33 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;1-ethyl-4-[(2E,4Z)-3-fluorohexa-2,4-dienyl]benzene is sourced from PubChem (CID 145118149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).