1,2-difluorobenzene;(1Z,3Z)-1,2-difluorohexa-1,3,5-triene;ethane

C14H16F4 — CID 143939058

IUPAC1,2-difluorobenzene;(1Z,3Z)-1,2-difluorohexa-1,3,5-triene;ethane
SMILESC=C/C=C\C(F)=C\F.CC.Fc1ccccc1F
InChIInChI=1S/C6H4F2.C6H6F2.C2H6/c7-5-3-1-2-4-6(5)8;1-2-3-4-6(8)5-7;1-2/h1-4H;2-5H,1H2;1-2H3/b;4-3-,6-5-;
InChIKeyQZKSOVAIFXFPJM-SAXVSKPSSA-N
MW260.27 g/mol
LogP5.50
Rot. Bonds2

About 1,2-difluorobenzene;(1Z,3Z)-1,2-difluorohexa-1,3,5-triene;ethane

1,2-difluorobenzene;(1Z,3Z)-1,2-difluorohexa-1,3,5-triene;ethane (PubChem CID 143939058) has the molecular formula C14H16F4 and a molecular weight of 260.27 g/mol. Its IUPAC name is 1,2-difluorobenzene;(1Z,3Z)-1,2-difluorohexa-1,3,5-triene;ethane.

Molecular Properties

Compound Name1,2-difluorobenzene;(1Z,3Z)-1,2-difluorohexa-1,3,5-triene;ethane
PubChem CID143939058
Molecular FormulaC14H16F4
Molecular Weight260.27 g/mol
Exact Mass260.12
IUPAC Name1,2-difluorobenzene;(1Z,3Z)-1,2-difluorohexa-1,3,5-triene;ethane
SMILESC=C/C=C\C(F)=C\F.CC.Fc1ccccc1F
InChIInChI=1S/C6H4F2.C6H6F2.C2H6/c7-5-3-1-2-4-6(5)8;1-2-3-4-6(8)5-7;1-2/h1-4H;2-5H,1H2;1-2H3/b;4-3-,6-5-;
InChIKeyQZKSOVAIFXFPJM-SAXVSKPSSA-N
XLogP5.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.27
LogP ≤ 55.50
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

ethane;[(4Z)-2-methyl-3-methylidenehepta-4,6-dien-2-yl]benzene
CID 144915066
[(2E,4Z)-hepta-2,4,6-trien-3-yl]benzene
CID 12628363
[(1E,3Z)-2-methylhexa-1,3,5-trienyl]benzene
CID 143291688
(3Z,5E)-6,7-difluorohepta-1,3,5-triene;ethane;fluorobenzene
CID 143612069
ethane;[(3E,4Z)-3-ethylidene-1,1,1-trifluoro-2-(trifluoromethyl)hepta-4,6-dien-2-yl]benzene
CID 143793205
benzene;(3Z,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraene;ethane;methane
CID 164901853
ethane;1-methyl-2-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]benzene
CID 144536414
(3Z)-5,6-dimethylhepta-1,3,5-triene;ethane;prop-1-en-2-ylbenzene
CID 143844790
1-bromo-2-[(2Z,4Z)-2-bromohepta-2,4,6-trien-3-yl]benzene
CID 177036030
ethane;(3Z)-2-methylhexa-1,3,5-triene;1,4-xylene
CID 144729160
(2E)-1-phenylpenta-2,4-dien-1-one
CID 11019140
1-bromo-2-fluorobenzene;ethane
CID 91109851

Frequently Asked Questions

What is the IUPAC name of 1,2-difluorobenzene;(1Z,3Z)-1,2-difluorohexa-1,3,5-triene;ethane?
The IUPAC name of 1,2-difluorobenzene;(1Z,3Z)-1,2-difluorohexa-1,3,5-triene;ethane (CID 143939058) is 1,2-difluorobenzene;(1Z,3Z)-1,2-difluorohexa-1,3,5-triene;ethane.
What is the SMILES notation for 1,2-difluorobenzene;(1Z,3Z)-1,2-difluorohexa-1,3,5-triene;ethane?
The canonical SMILES for 1,2-difluorobenzene;(1Z,3Z)-1,2-difluorohexa-1,3,5-triene;ethane is C=C/C=C\C(F)=C\F.CC.Fc1ccccc1F.
What is the InChIKey of 1,2-difluorobenzene;(1Z,3Z)-1,2-difluorohexa-1,3,5-triene;ethane?
The InChIKey is QZKSOVAIFXFPJM-SAXVSKPSSA-N. The full InChI is InChI=1S/C6H4F2.C6H6F2.C2H6/c7-5-3-1-2-4-6(5)8;1-2-3-4-6(8)5-7;1-2/h1-4H;2-5H,1H2;1-2H3/b;4-3-,6-5-;.
What are the key properties of 1,2-difluorobenzene;(1Z,3Z)-1,2-difluorohexa-1,3,5-triene;ethane?
1,2-difluorobenzene;(1Z,3Z)-1,2-difluorohexa-1,3,5-triene;ethane has a molecular weight of 260.27 g/mol, XLogP of 5.50, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluorobenzene;(1Z,3Z)-1,2-difluorohexa-1,3,5-triene;ethane is sourced from PubChem (CID 143939058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).