acetylene;1,4-difluoro-2-[(2E,4Z)-hexa-2,4-dien-3-yl]benzene

C14H14F2 — CID 143262022

IUPACacetylene;1,4-difluoro-2-[(2E,4Z)-hexa-2,4-dien-3-yl]benzene
SMILESC#C.C/C=C\C(=C/C)c1cc(F)ccc1F
InChIInChI=1S/C12H12F2.C2H2/c1-3-5-9(4-2)11-8-10(13)6-7-12(11)14;1-2/h3-8H,1-2H3;1-2H/b5-3-,9-4+;
InChIKeyVIHTXBWRLKLAHA-XNDFSMPPSA-N
MW220.26 g/mol
LogP4.19
Rot. Bonds2

About acetylene;1,4-difluoro-2-[(2E,4Z)-hexa-2,4-dien-3-yl]benzene

acetylene;1,4-difluoro-2-[(2E,4Z)-hexa-2,4-dien-3-yl]benzene (PubChem CID 143262022) has the molecular formula C14H14F2 and a molecular weight of 220.26 g/mol. Its IUPAC name is acetylene;1,4-difluoro-2-[(2E,4Z)-hexa-2,4-dien-3-yl]benzene.

Molecular Properties

Compound Nameacetylene;1,4-difluoro-2-[(2E,4Z)-hexa-2,4-dien-3-yl]benzene
PubChem CID143262022
Molecular FormulaC14H14F2
Molecular Weight220.26 g/mol
Exact Mass220.11
IUPAC Nameacetylene;1,4-difluoro-2-[(2E,4Z)-hexa-2,4-dien-3-yl]benzene
SMILESC#C.C/C=C\C(=C/C)c1cc(F)ccc1F
InChIInChI=1S/C12H12F2.C2H2/c1-3-5-9(4-2)11-8-10(13)6-7-12(11)14;1-2/h3-8H,1-2H3;1-2H/b5-3-,9-4+;
InChIKeyVIHTXBWRLKLAHA-XNDFSMPPSA-N
XLogP4.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 54.19
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-(2,5-difluorophenyl)ethanethione
CID 143795171
(Z)-1-(2,4-difluorophenyl)-N-ethenylbut-2-en-1-imine
CID 142896113
(E)-4-(2,5-difluorophenyl)-4-oxobut-2-enoic acid
CID 10703736
1-(2,5-difluorophenyl)-2-hydroxy-3,3-dimethylbutan-1-one
CID 103456132
(Z)-2-(2-amino-5-fluorophenyl)but-2-enal
CID 143644911
2-(3-fluoro-4-hexa-2,4-dien-3-ylphenyl)propanal
CID 90770571
2-but-2-enoxy-1-(2,5-difluorophenyl)ethanone
CID 76938295
pent-3-enyl 2,5-difluoro-N-methylbenzenecarboximidothioate
CID 90748104
1-(2,5-difluorophenyl)but-3-yn-1-one
CID 63661122
ethane;4-[(2E,4Z)-hexa-2,4-dien-3-yl]benzene-1,3-diamine
CID 142094947
3-(2,5-difluorophenyl)-3-oxopropanal
CID 43114709
2-(2,5-difluorophenyl)-N-methyl-2-oxoacetamide
CID 82112280

Frequently Asked Questions

What is the IUPAC name of acetylene;1,4-difluoro-2-[(2E,4Z)-hexa-2,4-dien-3-yl]benzene?
The IUPAC name of acetylene;1,4-difluoro-2-[(2E,4Z)-hexa-2,4-dien-3-yl]benzene (CID 143262022) is acetylene;1,4-difluoro-2-[(2E,4Z)-hexa-2,4-dien-3-yl]benzene.
What is the SMILES notation for acetylene;1,4-difluoro-2-[(2E,4Z)-hexa-2,4-dien-3-yl]benzene?
The canonical SMILES for acetylene;1,4-difluoro-2-[(2E,4Z)-hexa-2,4-dien-3-yl]benzene is C#C.C/C=C\C(=C/C)c1cc(F)ccc1F.
What is the InChIKey of acetylene;1,4-difluoro-2-[(2E,4Z)-hexa-2,4-dien-3-yl]benzene?
The InChIKey is VIHTXBWRLKLAHA-XNDFSMPPSA-N. The full InChI is InChI=1S/C12H12F2.C2H2/c1-3-5-9(4-2)11-8-10(13)6-7-12(11)14;1-2/h3-8H,1-2H3;1-2H/b5-3-,9-4+;.
What are the key properties of acetylene;1,4-difluoro-2-[(2E,4Z)-hexa-2,4-dien-3-yl]benzene?
acetylene;1,4-difluoro-2-[(2E,4Z)-hexa-2,4-dien-3-yl]benzene has a molecular weight of 220.26 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;1,4-difluoro-2-[(2E,4Z)-hexa-2,4-dien-3-yl]benzene is sourced from PubChem (CID 143262022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).