3a,4,4,5,5,6,6,6a-octafluoro-2-methylidenecyclopenta[d][1,3]dioxole

C7H2F8O2 — CID 122459159

IUPAC3a,4,4,5,5,6,6,6a-octafluoro-2-methylidenecyclopenta[d][1,3]dioxole
SMILESC=C1OC2(F)C(F)(F)C(F)(F)C(F)(F)C2(F)O1
InChIInChI=1S/C7H2F8O2/c1-2-16-6(14)4(10,11)3(8,9)5(12,13)7(6,15)17-2/h1H2
InChIKeyNVPCZAPXNLMWPA-UHFFFAOYSA-N
MW270.08 g/mol
LogP2.76
Rot. Bonds

About 3a,4,4,5,5,6,6,6a-octafluoro-2-methylidenecyclopenta[d][1,3]dioxole

3a,4,4,5,5,6,6,6a-octafluoro-2-methylidenecyclopenta[d][1,3]dioxole (PubChem CID 122459159) has the molecular formula C7H2F8O2 and a molecular weight of 270.08 g/mol. Its IUPAC name is 3a,4,4,5,5,6,6,6a-octafluoro-2-methylidenecyclopenta[d][1,3]dioxole.

Molecular Properties

Compound Name3a,4,4,5,5,6,6,6a-octafluoro-2-methylidenecyclopenta[d][1,3]dioxole
PubChem CID122459159
Molecular FormulaC7H2F8O2
Molecular Weight270.08 g/mol
Exact Mass269.99
IUPAC Name3a,4,4,5,5,6,6,6a-octafluoro-2-methylidenecyclopenta[d][1,3]dioxole
SMILESC=C1OC2(F)C(F)(F)C(F)(F)C(F)(F)C2(F)O1
InChIInChI=1S/C7H2F8O2/c1-2-16-6(14)4(10,11)3(8,9)5(12,13)7(6,15)17-2/h1H2
InChIKeyNVPCZAPXNLMWPA-UHFFFAOYSA-N
XLogP2.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.08
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3a,4,4,5,5,6,6,6a-octafluoro-2-methylidenecyclopenta[d][1,3]dioxole with MolForge

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Related Compounds

1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15-triacontafluorocyclopentadecane
CID 162355786
4,4,5,5-tetramethyl-2-methylidene-1,3-dioxolane
CID 12643493
(1R,9R,14S,22S)-1,3,3,4,4,6,6,7,7,9,10,10,11,11,12,12,13,13,14,16,16,17,17,19,19,20,20,22,23,23,24,24,25,25,26,26-hexatriacontafluoro-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosane
CID 14892283
(1S,15S)-1,3,3,4,4,6,6,7,7,9,9,10,10,12,12,13,13,15,16,16,17,17,18,18,19,19-hexacosafluoro-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadecane
CID 14921076
ethane;1,1,2,2,3,3-hexafluoro-4,5-dimethylidenecyclopentane
CID 143423898
1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-octadecafluoronaphthalene;1,2,3,4,5,6,7,8-octafluoronaphthalene
CID 158548980
hexafluoro-λ6-sulfane;1,1,2,2,3,3,4,4-octafluorocyclobutane
CID 174484392
2,4,6-trimethylidene-1,3,5-trioxane
CID 163522773
7,7,8,8,9,9,10,10,11,11-decafluoro-3-methylidene-1-oxa-5-azaspiro[5.5]undecan-4-one
CID 166647290
5,6-bis(ethenyl)-2,2,3,3-tetrafluoro-1,4-dioxine
CID 145021961
4,5-dimethyl-2-methylidene-1,3-dioxolan-4-ol
CID 69354636
(1Z)-1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-octadecafluorocyclodecene
CID 139346859

Frequently Asked Questions

What is the IUPAC name of 3a,4,4,5,5,6,6,6a-octafluoro-2-methylidenecyclopenta[d][1,3]dioxole?
The IUPAC name of 3a,4,4,5,5,6,6,6a-octafluoro-2-methylidenecyclopenta[d][1,3]dioxole (CID 122459159) is 3a,4,4,5,5,6,6,6a-octafluoro-2-methylidenecyclopenta[d][1,3]dioxole.
What is the SMILES notation for 3a,4,4,5,5,6,6,6a-octafluoro-2-methylidenecyclopenta[d][1,3]dioxole?
The canonical SMILES for 3a,4,4,5,5,6,6,6a-octafluoro-2-methylidenecyclopenta[d][1,3]dioxole is C=C1OC2(F)C(F)(F)C(F)(F)C(F)(F)C2(F)O1.
What is the InChIKey of 3a,4,4,5,5,6,6,6a-octafluoro-2-methylidenecyclopenta[d][1,3]dioxole?
The InChIKey is NVPCZAPXNLMWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2F8O2/c1-2-16-6(14)4(10,11)3(8,9)5(12,13)7(6,15)17-2/h1H2.
What are the key properties of 3a,4,4,5,5,6,6,6a-octafluoro-2-methylidenecyclopenta[d][1,3]dioxole?
3a,4,4,5,5,6,6,6a-octafluoro-2-methylidenecyclopenta[d][1,3]dioxole has a molecular weight of 270.08 g/mol, XLogP of 2.76, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,4,4,5,5,6,6,6a-octafluoro-2-methylidenecyclopenta[d][1,3]dioxole is sourced from PubChem (CID 122459159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).