6,6,7,7-tetrafluorocyclohepta-1,4-diene

C7H6F4 — CID 100925528

IUPAC6,6,7,7-tetrafluorocyclohepta-1,4-diene
SMILESFC1(F)C=CCC=CC1(F)F
InChIInChI=1S/C7H6F4/c8-6(9)4-2-1-3-5-7(6,10)11/h2-5H,1H2
InChIKeyRYKKFKRNTYZPBG-UHFFFAOYSA-N
MW166.12 g/mol
LogP2.77
Rot. Bonds

About 6,6,7,7-tetrafluorocyclohepta-1,4-diene

6,6,7,7-tetrafluorocyclohepta-1,4-diene (PubChem CID 100925528) has the molecular formula C7H6F4 and a molecular weight of 166.12 g/mol. Its IUPAC name is 6,6,7,7-tetrafluorocyclohepta-1,4-diene.

Molecular Properties

Compound Name6,6,7,7-tetrafluorocyclohepta-1,4-diene
PubChem CID100925528
Molecular FormulaC7H6F4
Molecular Weight166.12 g/mol
Exact Mass166.04
IUPAC Name6,6,7,7-tetrafluorocyclohepta-1,4-diene
SMILESFC1(F)C=CCC=CC1(F)F
InChIInChI=1S/C7H6F4/c8-6(9)4-2-1-3-5-7(6,10)11/h2-5H,1H2
InChIKeyRYKKFKRNTYZPBG-UHFFFAOYSA-N
XLogP2.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.12
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

cyclopropene
CID 141033262
5,5,6,6-tetrafluorocyclohexa-1,3-diene
CID 12676459
(4Z)-cyclonona-1,4,7-triene
CID 123743904
cyclohexa-1,4-diene
CID 12343
(1-fluorocyclohexa-2,5-dien-1-yl)oxybenzene
CID 19608836
3,3-ditert-butylcyclohexa-1,4-diene
CID 173203365
3,3,4,4,5,5,6,6-octafluorocyclohexene
CID 13054
magnesium;cyclopropene;dibromide
CID 174914683
3-bromo-3-tert-butylcyclohexa-1,4-diene
CID 67100558
cyclohexa-1,4-diene;ethane;propane
CID 158923317
spiro[5.5]undeca-1,4-dien-9-one
CID 89061769
cyclopenta-1,3-diene
CID 159248657

Frequently Asked Questions

What is the IUPAC name of 6,6,7,7-tetrafluorocyclohepta-1,4-diene?
The IUPAC name of 6,6,7,7-tetrafluorocyclohepta-1,4-diene (CID 100925528) is 6,6,7,7-tetrafluorocyclohepta-1,4-diene.
What is the SMILES notation for 6,6,7,7-tetrafluorocyclohepta-1,4-diene?
The canonical SMILES for 6,6,7,7-tetrafluorocyclohepta-1,4-diene is FC1(F)C=CCC=CC1(F)F.
What is the InChIKey of 6,6,7,7-tetrafluorocyclohepta-1,4-diene?
The InChIKey is RYKKFKRNTYZPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F4/c8-6(9)4-2-1-3-5-7(6,10)11/h2-5H,1H2.
What are the key properties of 6,6,7,7-tetrafluorocyclohepta-1,4-diene?
6,6,7,7-tetrafluorocyclohepta-1,4-diene has a molecular weight of 166.12 g/mol, XLogP of 2.77, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,7,7-tetrafluorocyclohepta-1,4-diene is sourced from PubChem (CID 100925528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).