(3Z,5E)-6,7-difluorohepta-1,3,5-triene;ethane;fluorobenzene

C17H25F3 — CID 143612069

IUPAC(3Z,5E)-6,7-difluorohepta-1,3,5-triene;ethane;fluorobenzene
SMILESC=C/C=C\C=C(\F)CF.CC.CC.Fc1ccccc1
InChIInChI=1S/C7H8F2.C6H5F.2C2H6/c1-2-3-4-5-7(9)6-8;7-6-4-2-1-3-5-6;2*1-2/h2-5H,1,6H2;1-5H;2*1-2H3/b4-3-,7-5+;;;
InChIKeyGOFKZPXQABXEGL-KITKHWLNSA-N
MW286.38 g/mol
LogP6.43
Rot. Bonds3

About (3Z,5E)-6,7-difluorohepta-1,3,5-triene;ethane;fluorobenzene

(3Z,5E)-6,7-difluorohepta-1,3,5-triene;ethane;fluorobenzene (PubChem CID 143612069) has the molecular formula C17H25F3 and a molecular weight of 286.38 g/mol. Its IUPAC name is (3Z,5E)-6,7-difluorohepta-1,3,5-triene;ethane;fluorobenzene.

Molecular Properties

Compound Name(3Z,5E)-6,7-difluorohepta-1,3,5-triene;ethane;fluorobenzene
PubChem CID143612069
Molecular FormulaC17H25F3
Molecular Weight286.38 g/mol
Exact Mass286.19
IUPAC Name(3Z,5E)-6,7-difluorohepta-1,3,5-triene;ethane;fluorobenzene
SMILESC=C/C=C\C=C(\F)CF.CC.CC.Fc1ccccc1
InChIInChI=1S/C7H8F2.C6H5F.2C2H6/c1-2-3-4-5-7(9)6-8;7-6-4-2-1-3-5-6;2*1-2/h2-5H,1,6H2;1-5H;2*1-2H3/b4-3-,7-5+;;;
InChIKeyGOFKZPXQABXEGL-KITKHWLNSA-N
XLogP6.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.38
LogP ≤ 56.43
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

fluorobenzene;prop-1-ene
CID 18357463
ethane;[(2E,4Z)-hepta-2,4,6-trien-2-yl]oxybenzene
CID 143117952
N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-N-iodoaniline
CID 170206355
fluoro(1,2,3,4,5,6-13C6)cyclohexatriene
CID 76973692
1-phenylhexa-1,3,5-trienylbenzene;propanoic acid
CID 158549919
ethane;3-fluoro-N-[(3E,5Z)-hepta-3,5-dien-3-yl]-N-phenylaniline
CID 145203867
[(1E,3E,5Z)-3-methylocta-1,3,5,7-tetraenyl]benzene
CID 143083537
1,2-difluorobenzene;(1Z,3Z)-1,2-difluorohexa-1,3,5-triene;ethane
CID 143939058
2,4-difluoro-1-[(4E,6Z)-nona-4,6,8-trien-4-yl]benzene
CID 143767770
benzene;(3Z)-hexa-1,3,5-triene;propane
CID 159956951
fluorobenzene;prop-2-enoyl chloride
CID 159760934
N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-N,4-diphenylaniline
CID 88961504

Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-6,7-difluorohepta-1,3,5-triene;ethane;fluorobenzene?
The IUPAC name of (3Z,5E)-6,7-difluorohepta-1,3,5-triene;ethane;fluorobenzene (CID 143612069) is (3Z,5E)-6,7-difluorohepta-1,3,5-triene;ethane;fluorobenzene.
What is the SMILES notation for (3Z,5E)-6,7-difluorohepta-1,3,5-triene;ethane;fluorobenzene?
The canonical SMILES for (3Z,5E)-6,7-difluorohepta-1,3,5-triene;ethane;fluorobenzene is C=C/C=C\C=C(\F)CF.CC.CC.Fc1ccccc1.
What is the InChIKey of (3Z,5E)-6,7-difluorohepta-1,3,5-triene;ethane;fluorobenzene?
The InChIKey is GOFKZPXQABXEGL-KITKHWLNSA-N. The full InChI is InChI=1S/C7H8F2.C6H5F.2C2H6/c1-2-3-4-5-7(9)6-8;7-6-4-2-1-3-5-6;2*1-2/h2-5H,1,6H2;1-5H;2*1-2H3/b4-3-,7-5+;;;.
What are the key properties of (3Z,5E)-6,7-difluorohepta-1,3,5-triene;ethane;fluorobenzene?
(3Z,5E)-6,7-difluorohepta-1,3,5-triene;ethane;fluorobenzene has a molecular weight of 286.38 g/mol, XLogP of 6.43, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-6,7-difluorohepta-1,3,5-triene;ethane;fluorobenzene is sourced from PubChem (CID 143612069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).