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

C8H7F5O — CID 58898152

IUPAC6-fluoro-2-(1,1,2,2-tetrafluoroethoxy)cyclohexa-1,3-diene
SMILESFC1C=C(OC(F)(F)C(F)F)C=CC1
InChIInChI=1S/C8H7F5O/c9-5-2-1-3-6(4-5)14-8(12,13)7(10)11/h1,3-5,7H,2H2
InChIKeyMBTFNWVYNQUCNN-UHFFFAOYSA-N
MW214.13 g/mol
LogP3.04
Rot. Bonds3

About 6-fluoro-2-(1,1,2,2-tetrafluoroethoxy)cyclohexa-1,3-diene

6-fluoro-2-(1,1,2,2-tetrafluoroethoxy)cyclohexa-1,3-diene (PubChem CID 58898152) has the molecular formula C8H7F5O and a molecular weight of 214.13 g/mol. Its IUPAC name is 6-fluoro-2-(1,1,2,2-tetrafluoroethoxy)cyclohexa-1,3-diene.

Molecular Properties

Compound Name6-fluoro-2-(1,1,2,2-tetrafluoroethoxy)cyclohexa-1,3-diene
PubChem CID58898152
Molecular FormulaC8H7F5O
Molecular Weight214.13 g/mol
Exact Mass214.04
IUPAC Name6-fluoro-2-(1,1,2,2-tetrafluoroethoxy)cyclohexa-1,3-diene
SMILESFC1C=C(OC(F)(F)C(F)F)C=CC1
InChIInChI=1S/C8H7F5O/c9-5-2-1-3-6(4-5)14-8(12,13)7(10)11/h1,3-5,7H,2H2
InChIKeyMBTFNWVYNQUCNN-UHFFFAOYSA-N
XLogP3.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.13
LogP ≤ 53.04
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 6-fluoro-2-(1,1,2,2-tetrafluoroethoxy)cyclohexa-1,3-diene?
The IUPAC name of 6-fluoro-2-(1,1,2,2-tetrafluoroethoxy)cyclohexa-1,3-diene (CID 58898152) is 6-fluoro-2-(1,1,2,2-tetrafluoroethoxy)cyclohexa-1,3-diene.
What is the SMILES notation for 6-fluoro-2-(1,1,2,2-tetrafluoroethoxy)cyclohexa-1,3-diene?
The canonical SMILES for 6-fluoro-2-(1,1,2,2-tetrafluoroethoxy)cyclohexa-1,3-diene is FC1C=C(OC(F)(F)C(F)F)C=CC1.
What is the InChIKey of 6-fluoro-2-(1,1,2,2-tetrafluoroethoxy)cyclohexa-1,3-diene?
The InChIKey is MBTFNWVYNQUCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F5O/c9-5-2-1-3-6(4-5)14-8(12,13)7(10)11/h1,3-5,7H,2H2.
What are the key properties of 6-fluoro-2-(1,1,2,2-tetrafluoroethoxy)cyclohexa-1,3-diene?
6-fluoro-2-(1,1,2,2-tetrafluoroethoxy)cyclohexa-1,3-diene has a molecular weight of 214.13 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(1,1,2,2-tetrafluoroethoxy)cyclohexa-1,3-diene is sourced from PubChem (CID 58898152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).