2,2,3,3-tetrafluoro-7,7-dimethylcyclohepta[b][1,4]dioxine

C11H10F4O2 — CID 143542265

IUPAC2,2,3,3-tetrafluoro-7,7-dimethylcyclohepta[b][1,4]dioxine
SMILESCC1(C)C=CC2=C(C=C1)OC(F)(F)C(F)(F)O2
InChIInChI=1S/C11H10F4O2/c1-9(2)5-3-7-8(4-6-9)17-11(14,15)10(12,13)16-7/h3-6H,1-2H3
InChIKeyKGYNOOVTVVARHA-UHFFFAOYSA-N
MW250.19 g/mol
LogP3.58
Rot. Bonds

About 2,2,3,3-tetrafluoro-7,7-dimethylcyclohepta[b][1,4]dioxine

2,2,3,3-tetrafluoro-7,7-dimethylcyclohepta[b][1,4]dioxine (PubChem CID 143542265) has the molecular formula C11H10F4O2 and a molecular weight of 250.19 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-7,7-dimethylcyclohepta[b][1,4]dioxine.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-7,7-dimethylcyclohepta[b][1,4]dioxine
PubChem CID143542265
Molecular FormulaC11H10F4O2
Molecular Weight250.19 g/mol
Exact Mass250.06
IUPAC Name2,2,3,3-tetrafluoro-7,7-dimethylcyclohepta[b][1,4]dioxine
SMILESCC1(C)C=CC2=C(C=C1)OC(F)(F)C(F)(F)O2
InChIInChI=1S/C11H10F4O2/c1-9(2)5-3-7-8(4-6-9)17-11(14,15)10(12,13)16-7/h3-6H,1-2H3
InChIKeyKGYNOOVTVVARHA-UHFFFAOYSA-N
XLogP3.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.19
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-difluoro-6,6-dimethyl-3H-cyclohepta[b]furan
CID 143598103
7,7-dimethyl-3,4-dihydro-2H-cyclohepta[b]pyran;ethane
CID 143072426
6,6,14,14-tetramethyltricyclo[9.5.0.03,9]hexadeca-1(11),3(9),4,7,12,15-hexaene-2,10-dione
CID 142049970
7,7-dimethyl-4H-cyclohepta[b]pyran
CID 163798911
(2S)-2,6,6-trimethyl-2,3-dihydrocyclohepta[b]furan
CID 154685717
7,7-dimethyl-2,3-dihydrocyclohepta[b][1,4]oxathiine
CID 143422485
ethane;4,4,7-trimethylazepine
CID 145323887
4,7,7-trimethyl-3,4-dihydro-2H-cyclohepta[b]pyran-3-ol
CID 142065636
5,5-dimethylcyclopenta-1,3-diene;ethane
CID 90745193
5,5-dimethylcyclopenta-1,3-diene;ethane
CID 91022603
trimethyl-[(1E,4Z,7Z)-3,3,6,6-tetramethylcycloocta-1,4,7-trien-1-yl]silane
CID 5366639
7,7-dimethylcyclohepta[b]pyran-2-one
CID 142330756

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-7,7-dimethylcyclohepta[b][1,4]dioxine?
The IUPAC name of 2,2,3,3-tetrafluoro-7,7-dimethylcyclohepta[b][1,4]dioxine (CID 143542265) is 2,2,3,3-tetrafluoro-7,7-dimethylcyclohepta[b][1,4]dioxine.
What is the SMILES notation for 2,2,3,3-tetrafluoro-7,7-dimethylcyclohepta[b][1,4]dioxine?
The canonical SMILES for 2,2,3,3-tetrafluoro-7,7-dimethylcyclohepta[b][1,4]dioxine is CC1(C)C=CC2=C(C=C1)OC(F)(F)C(F)(F)O2.
What is the InChIKey of 2,2,3,3-tetrafluoro-7,7-dimethylcyclohepta[b][1,4]dioxine?
The InChIKey is KGYNOOVTVVARHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F4O2/c1-9(2)5-3-7-8(4-6-9)17-11(14,15)10(12,13)16-7/h3-6H,1-2H3.
What are the key properties of 2,2,3,3-tetrafluoro-7,7-dimethylcyclohepta[b][1,4]dioxine?
2,2,3,3-tetrafluoro-7,7-dimethylcyclohepta[b][1,4]dioxine has a molecular weight of 250.19 g/mol, XLogP of 3.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-7,7-dimethylcyclohepta[b][1,4]dioxine is sourced from PubChem (CID 143542265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).