(4E,7Z)-4-[(3E,6Z)-1,1,1,8-tetrafluoronona-3,6-dien-4-yl]oxycycloocta-1,2,4,7-tetraene

C17H18F4O — CID 142805729

IUPAC(4E,7Z)-4-[(3E,6Z)-1,1,1,8-tetrafluoronona-3,6-dien-4-yl]oxycycloocta-1,2,4,7-tetraene
SMILESCC(F)/C=C\C/C(=C\CC(F)(F)F)O/C1=C/C/C=C\C=C=C1
InChIInChI=1S/C17H18F4O/c1-14(18)8-7-11-16(12-13-17(19,20)21)22-15-9-5-3-2-4-6-10-15/h2-4,7-10,12,14H,5,11,13H2,1H3/b3-2-,8-7-,15-9+,16-12+
InChIKeyFPNFCJNZGUEURW-KUHRNWIHSA-N
MW314.32 g/mol
LogP5.70
Rot. Bonds6

About (4E,7Z)-4-[(3E,6Z)-1,1,1,8-tetrafluoronona-3,6-dien-4-yl]oxycycloocta-1,2,4,7-tetraene

(4E,7Z)-4-[(3E,6Z)-1,1,1,8-tetrafluoronona-3,6-dien-4-yl]oxycycloocta-1,2,4,7-tetraene (PubChem CID 142805729) has the molecular formula C17H18F4O and a molecular weight of 314.32 g/mol. Its IUPAC name is (4E,7Z)-4-[(3E,6Z)-1,1,1,8-tetrafluoronona-3,6-dien-4-yl]oxycycloocta-1,2,4,7-tetraene.

Molecular Properties

Compound Name(4E,7Z)-4-[(3E,6Z)-1,1,1,8-tetrafluoronona-3,6-dien-4-yl]oxycycloocta-1,2,4,7-tetraene
PubChem CID142805729
Molecular FormulaC17H18F4O
Molecular Weight314.32 g/mol
Exact Mass314.13
IUPAC Name(4E,7Z)-4-[(3E,6Z)-1,1,1,8-tetrafluoronona-3,6-dien-4-yl]oxycycloocta-1,2,4,7-tetraene
SMILESCC(F)/C=C\C/C(=C\CC(F)(F)F)O/C1=C/C/C=C\C=C=C1
InChIInChI=1S/C17H18F4O/c1-14(18)8-7-11-16(12-13-17(19,20)21)22-15-9-5-3-2-4-6-10-15/h2-4,7-10,12,14H,5,11,13H2,1H3/b3-2-,8-7-,15-9+,16-12+
InChIKeyFPNFCJNZGUEURW-KUHRNWIHSA-N
XLogP5.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.32
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4E,7Z)-4-[(3E,6Z)-1,1,1,8-tetrafluoronona-3,6-dien-4-yl]oxycycloocta-1,2,4,7-tetraene?
The IUPAC name of (4E,7Z)-4-[(3E,6Z)-1,1,1,8-tetrafluoronona-3,6-dien-4-yl]oxycycloocta-1,2,4,7-tetraene (CID 142805729) is (4E,7Z)-4-[(3E,6Z)-1,1,1,8-tetrafluoronona-3,6-dien-4-yl]oxycycloocta-1,2,4,7-tetraene.
What is the SMILES notation for (4E,7Z)-4-[(3E,6Z)-1,1,1,8-tetrafluoronona-3,6-dien-4-yl]oxycycloocta-1,2,4,7-tetraene?
The canonical SMILES for (4E,7Z)-4-[(3E,6Z)-1,1,1,8-tetrafluoronona-3,6-dien-4-yl]oxycycloocta-1,2,4,7-tetraene is CC(F)/C=C\C/C(=C\CC(F)(F)F)O/C1=C/C/C=C\C=C=C1.
What is the InChIKey of (4E,7Z)-4-[(3E,6Z)-1,1,1,8-tetrafluoronona-3,6-dien-4-yl]oxycycloocta-1,2,4,7-tetraene?
The InChIKey is FPNFCJNZGUEURW-KUHRNWIHSA-N. The full InChI is InChI=1S/C17H18F4O/c1-14(18)8-7-11-16(12-13-17(19,20)21)22-15-9-5-3-2-4-6-10-15/h2-4,7-10,12,14H,5,11,13H2,1H3/b3-2-,8-7-,15-9+,16-12+.
What are the key properties of (4E,7Z)-4-[(3E,6Z)-1,1,1,8-tetrafluoronona-3,6-dien-4-yl]oxycycloocta-1,2,4,7-tetraene?
(4E,7Z)-4-[(3E,6Z)-1,1,1,8-tetrafluoronona-3,6-dien-4-yl]oxycycloocta-1,2,4,7-tetraene has a molecular weight of 314.32 g/mol, XLogP of 5.70, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,7Z)-4-[(3E,6Z)-1,1,1,8-tetrafluoronona-3,6-dien-4-yl]oxycycloocta-1,2,4,7-tetraene is sourced from PubChem (CID 142805729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).