(5Z,7E)-4,8-difluoroocta-5,7-dienoic acid

C8H10F2O2 — CID 89001469

IUPAC(5Z,7E)-4,8-difluoroocta-5,7-dienoic acid
SMILESO=C(O)CCC(F)/C=C\C=C\F
InChIInChI=1S/C8H10F2O2/c9-6-2-1-3-7(10)4-5-8(11)12/h1-3,6-7H,4-5H2,(H,11,12)/b3-1-,6-2+
InChIKeyPHWIOSXELKIOIG-JUEFVVJZSA-N
MW176.16 g/mol
LogP2.23
Rot. Bonds5

About (5Z,7E)-4,8-difluoroocta-5,7-dienoic acid

(5Z,7E)-4,8-difluoroocta-5,7-dienoic acid (PubChem CID 89001469) has the molecular formula C8H10F2O2 and a molecular weight of 176.16 g/mol. Its IUPAC name is (5Z,7E)-4,8-difluoroocta-5,7-dienoic acid.

Molecular Properties

Compound Name(5Z,7E)-4,8-difluoroocta-5,7-dienoic acid
PubChem CID89001469
Molecular FormulaC8H10F2O2
Molecular Weight176.16 g/mol
Exact Mass176.06
IUPAC Name(5Z,7E)-4,8-difluoroocta-5,7-dienoic acid
SMILESO=C(O)CCC(F)/C=C\C=C\F
InChIInChI=1S/C8H10F2O2/c9-6-2-1-3-7(10)4-5-8(11)12/h1-3,6-7H,4-5H2,(H,11,12)/b3-1-,6-2+
InChIKeyPHWIOSXELKIOIG-JUEFVVJZSA-N
XLogP2.23
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.16
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-6-fluoro-4-methylhex-5-enoic acid
CID 121320724
4-amino-4-fluorobutanoic acid
CID 20508342
butanedioic acid;fluoroform
CID 159416748
4-fluoro-5-methylhexanoic acid
CID 83855194
(4R)-4-amino-5,5-difluoropentanoic acid
CID 51901753
sodium;2-chloropentanedioic acid;hydride
CID 173293436
butanedioic acid;difluoromethane
CID 159584710
tris((2S)-2-amino-5-hydroxy-5-oxopentanoate);chromium(3+)
CID 173162315
5-fluoropent-4-enoic acid
CID 173120467
6-(5-carboxy-3-methylpentoxy)-4-methylhexanoic acid
CID 87319600
4-amino-5-fluorohexanoic acid
CID 78098113
4,5,5-trifluorohexanoic acid
CID 174703324

Frequently Asked Questions

What is the IUPAC name of (5Z,7E)-4,8-difluoroocta-5,7-dienoic acid?
The IUPAC name of (5Z,7E)-4,8-difluoroocta-5,7-dienoic acid (CID 89001469) is (5Z,7E)-4,8-difluoroocta-5,7-dienoic acid.
What is the SMILES notation for (5Z,7E)-4,8-difluoroocta-5,7-dienoic acid?
The canonical SMILES for (5Z,7E)-4,8-difluoroocta-5,7-dienoic acid is O=C(O)CCC(F)/C=C\C=C\F.
What is the InChIKey of (5Z,7E)-4,8-difluoroocta-5,7-dienoic acid?
The InChIKey is PHWIOSXELKIOIG-JUEFVVJZSA-N. The full InChI is InChI=1S/C8H10F2O2/c9-6-2-1-3-7(10)4-5-8(11)12/h1-3,6-7H,4-5H2,(H,11,12)/b3-1-,6-2+.
What are the key properties of (5Z,7E)-4,8-difluoroocta-5,7-dienoic acid?
(5Z,7E)-4,8-difluoroocta-5,7-dienoic acid has a molecular weight of 176.16 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,7E)-4,8-difluoroocta-5,7-dienoic acid is sourced from PubChem (CID 89001469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).