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

C8H8F4O — CID 18427019

IUPAC2-(1,1,2,2-tetrafluoroethoxy)cyclohexa-1,3-diene
SMILESFC(F)C(F)(F)OC1=CCCC=C1
InChIInChI=1S/C8H8F4O/c9-7(10)8(11,12)13-6-4-2-1-3-5-6/h2,4-5,7H,1,3H2
InChIKeyALAJLSSXSOZLRA-UHFFFAOYSA-N
MW196.14 g/mol
LogP3.09
Rot. Bonds3

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

2-(1,1,2,2-tetrafluoroethoxy)cyclohexa-1,3-diene (PubChem CID 18427019) has the molecular formula C8H8F4O and a molecular weight of 196.14 g/mol. Its IUPAC name is 2-(1,1,2,2-tetrafluoroethoxy)cyclohexa-1,3-diene.

Molecular Properties

Compound Name2-(1,1,2,2-tetrafluoroethoxy)cyclohexa-1,3-diene
PubChem CID18427019
Molecular FormulaC8H8F4O
Molecular Weight196.14 g/mol
Exact Mass196.05
IUPAC Name2-(1,1,2,2-tetrafluoroethoxy)cyclohexa-1,3-diene
SMILESFC(F)C(F)(F)OC1=CCCC=C1
InChIInChI=1S/C8H8F4O/c9-7(10)8(11,12)13-6-4-2-1-3-5-6/h2,4-5,7H,1,3H2
InChIKeyALAJLSSXSOZLRA-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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Frequently Asked Questions

What is the IUPAC name of 2-(1,1,2,2-tetrafluoroethoxy)cyclohexa-1,3-diene?
The IUPAC name of 2-(1,1,2,2-tetrafluoroethoxy)cyclohexa-1,3-diene (CID 18427019) is 2-(1,1,2,2-tetrafluoroethoxy)cyclohexa-1,3-diene.
What is the SMILES notation for 2-(1,1,2,2-tetrafluoroethoxy)cyclohexa-1,3-diene?
The canonical SMILES for 2-(1,1,2,2-tetrafluoroethoxy)cyclohexa-1,3-diene is FC(F)C(F)(F)OC1=CCCC=C1.
What is the InChIKey of 2-(1,1,2,2-tetrafluoroethoxy)cyclohexa-1,3-diene?
The InChIKey is ALAJLSSXSOZLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F4O/c9-7(10)8(11,12)13-6-4-2-1-3-5-6/h2,4-5,7H,1,3H2.
What are the key properties of 2-(1,1,2,2-tetrafluoroethoxy)cyclohexa-1,3-diene?
2-(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 2-(1,1,2,2-tetrafluoroethoxy)cyclohexa-1,3-diene is sourced from PubChem (CID 18427019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).