1-(1,1,2,2-tetrafluoroethoxy)cyclohexa-1,3-diene

C8H8F4O — CID 173023709

IUPAC1-(1,1,2,2-tetrafluoroethoxy)cyclohexa-1,3-diene
SMILESFC(F)C(F)(F)OC1=CC=CCC1
InChIInChI=1S/C8H8F4O/c9-7(10)8(11,12)13-6-4-2-1-3-5-6/h1-2,4,7H,3,5H2
InChIKeyGCOWPXWPXHNHOP-UHFFFAOYSA-N
MW196.14 g/mol
LogP3.09
Rot. Bonds3

About 1-(1,1,2,2-tetrafluoroethoxy)cyclohexa-1,3-diene

1-(1,1,2,2-tetrafluoroethoxy)cyclohexa-1,3-diene (PubChem CID 173023709) has the molecular formula C8H8F4O and a molecular weight of 196.14 g/mol. Its IUPAC name is 1-(1,1,2,2-tetrafluoroethoxy)cyclohexa-1,3-diene.

Molecular Properties

Compound Name1-(1,1,2,2-tetrafluoroethoxy)cyclohexa-1,3-diene
PubChem CID173023709
Molecular FormulaC8H8F4O
Molecular Weight196.14 g/mol
Exact Mass196.05
IUPAC Name1-(1,1,2,2-tetrafluoroethoxy)cyclohexa-1,3-diene
SMILESFC(F)C(F)(F)OC1=CC=CCC1
InChIInChI=1S/C8H8F4O/c9-7(10)8(11,12)13-6-4-2-1-3-5-6/h1-2,4,7H,3,5H2
InChIKeyGCOWPXWPXHNHOP-UHFFFAOYSA-N
XLogP3.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.14
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(1,1,2,2-Tetrafluoroethoxy)cyclohexa-1,3-diene
CID 18427019
1-(Trifluoromethoxy)cyclohexa-1,3-diene
CID 21880618
1-(2,2,2-Trifluoroethoxy)cyclohexa-1,3-diene
CID 23447871
1-Methoxy-2-(trifluoromethyl)cyclohexa-1,3-diene
CID 53942068
6,7,8,8,9,9,9-Heptafluoro-4-(6,7,8,8,9,9,9-heptafluoronona-1,4,6-trien-4-yloxy)nona-1,4,6-triene
CID 57026860
6-Fluoro-2-(1,1,2,2-tetrafluoroethoxy)cyclohexa-1,3-diene
CID 58898152
(5S)-5-methyl-1-(trifluoromethoxy)cyclohexa-1,3-diene
CID 68330515
(6S)-6-methyl-1-(trifluoromethoxy)cyclohexa-1,3-diene
CID 68348284
6-Methyl-1-(trifluoromethoxy)cyclohexa-1,3-diene
CID 77487276
2,6-Difluoro-1-methoxycyclohexa-1,3-diene
CID 89129190
2-Methyl-1-(trifluoromethoxy)cyclohexa-1,3-diene
CID 121446234
3-Ethyl-1-(trifluoromethoxy)cyclohexa-1,3-diene
CID 123150496

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2,2-tetrafluoroethoxy)cyclohexa-1,3-diene?
The IUPAC name of 1-(1,1,2,2-tetrafluoroethoxy)cyclohexa-1,3-diene (CID 173023709) is 1-(1,1,2,2-tetrafluoroethoxy)cyclohexa-1,3-diene.
What is the SMILES notation for 1-(1,1,2,2-tetrafluoroethoxy)cyclohexa-1,3-diene?
The canonical SMILES for 1-(1,1,2,2-tetrafluoroethoxy)cyclohexa-1,3-diene is FC(F)C(F)(F)OC1=CC=CCC1.
What is the InChIKey of 1-(1,1,2,2-tetrafluoroethoxy)cyclohexa-1,3-diene?
The InChIKey is GCOWPXWPXHNHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F4O/c9-7(10)8(11,12)13-6-4-2-1-3-5-6/h1-2,4,7H,3,5H2.
What are the key properties of 1-(1,1,2,2-tetrafluoroethoxy)cyclohexa-1,3-diene?
1-(1,1,2,2-tetrafluoroethoxy)cyclohexa-1,3-diene has a molecular weight of 196.14 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,2-tetrafluoroethoxy)cyclohexa-1,3-diene is sourced from PubChem (CID 173023709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).