1,3,4,4,5,7,8,9,10,10,11,11-dodecafluorotricyclo[5.2.2.02,6]undeca-2,5,8-triene

C11F12 — CID 621373

IUPAC1,3,4,4,5,7,8,9,10,10,11,11-dodecafluorotricyclo[5.2.2.02,6]undeca-2,5,8-triene
SMILESFC1=C2C(=C(F)C1(F)F)C1(F)C(F)=C(F)C2(F)C(F)(F)C1(F)F
InChIInChI=1S/C11F12/c12-3-1-2(4(13)9(3,18)19)8(17)6(15)5(14)7(1,16)10(20,21)11(8,22)23
InChIKeySFCTVOCINHKGEW-UHFFFAOYSA-N
MW360.10 g/mol
LogP4.95
Rot. Bonds

About 1,3,4,4,5,7,8,9,10,10,11,11-dodecafluorotricyclo[5.2.2.02,6]undeca-2,5,8-triene

1,3,4,4,5,7,8,9,10,10,11,11-dodecafluorotricyclo[5.2.2.02,6]undeca-2,5,8-triene (PubChem CID 621373) has the molecular formula C11F12 and a molecular weight of 360.10 g/mol. Its IUPAC name is 1,3,4,4,5,7,8,9,10,10,11,11-dodecafluorotricyclo[5.2.2.02,6]undeca-2,5,8-triene.

Molecular Properties

Compound Name1,3,4,4,5,7,8,9,10,10,11,11-dodecafluorotricyclo[5.2.2.02,6]undeca-2,5,8-triene
PubChem CID621373
Molecular FormulaC11F12
Molecular Weight360.10 g/mol
Exact Mass359.98
IUPAC Name1,3,4,4,5,7,8,9,10,10,11,11-dodecafluorotricyclo[5.2.2.02,6]undeca-2,5,8-triene
SMILESFC1=C2C(=C(F)C1(F)F)C1(F)C(F)=C(F)C2(F)C(F)(F)C1(F)F
InChIInChI=1S/C11F12/c12-3-1-2(4(13)9(3,18)19)8(17)6(15)5(14)7(1,16)10(20,21)11(8,22)23
InChIKeySFCTVOCINHKGEW-UHFFFAOYSA-N
XLogP4.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.10
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 12697770
2,3-bis(chloromethyl)-1,4,5,6,7,7,8,8-octafluorobicyclo[2.2.2]octa-2,5-diene
CID 23234781
1,3,3,4,4,5,5,6,6-nonafluoro-2-(2,3,4,5,6-pentafluorophenyl)cyclohexene
CID 13226577
1,2,3,3,4,4,5,5-octafluorocyclopentene
CID 11212
1,2,3,3,4,6,6-heptafluoro-5-iodocyclohexa-1,4-diene
CID 13416579
1,2,3,4,5,5,6,6,7,7-decafluorobicyclo[2.2.1]hept-2-ene
CID 15573718
(1Z)-1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-octadecafluorocyclodecene
CID 139346859
1,2,3,3,4,6,6-heptafluoro-5-(trifluoromethyl)cyclohexa-1,4-diene
CID 12697774
(1Z,5Z)-1,2,3,3,4,4,5,6,7,7,8,8-dodecafluorocycloocta-1,5-diene;platinum
CID 87582607
1,1,2,2,3,3,4,4,5,5-decafluoro-6,6-dimethylcyclohexane;ethane;1,2,3,4,5,6-hexafluorobenzene
CID 156740763
cyclopentene;1,2,3,3,4,4,5,5-octafluorocyclopentene
CID 155776486
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

Frequently Asked Questions

What is the IUPAC name of 1,3,4,4,5,7,8,9,10,10,11,11-dodecafluorotricyclo[5.2.2.02,6]undeca-2,5,8-triene?
The IUPAC name of 1,3,4,4,5,7,8,9,10,10,11,11-dodecafluorotricyclo[5.2.2.02,6]undeca-2,5,8-triene (CID 621373) is 1,3,4,4,5,7,8,9,10,10,11,11-dodecafluorotricyclo[5.2.2.02,6]undeca-2,5,8-triene.
What is the SMILES notation for 1,3,4,4,5,7,8,9,10,10,11,11-dodecafluorotricyclo[5.2.2.02,6]undeca-2,5,8-triene?
The canonical SMILES for 1,3,4,4,5,7,8,9,10,10,11,11-dodecafluorotricyclo[5.2.2.02,6]undeca-2,5,8-triene is FC1=C2C(=C(F)C1(F)F)C1(F)C(F)=C(F)C2(F)C(F)(F)C1(F)F.
What is the InChIKey of 1,3,4,4,5,7,8,9,10,10,11,11-dodecafluorotricyclo[5.2.2.02,6]undeca-2,5,8-triene?
The InChIKey is SFCTVOCINHKGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11F12/c12-3-1-2(4(13)9(3,18)19)8(17)6(15)5(14)7(1,16)10(20,21)11(8,22)23.
What are the key properties of 1,3,4,4,5,7,8,9,10,10,11,11-dodecafluorotricyclo[5.2.2.02,6]undeca-2,5,8-triene?
1,3,4,4,5,7,8,9,10,10,11,11-dodecafluorotricyclo[5.2.2.02,6]undeca-2,5,8-triene has a molecular weight of 360.10 g/mol, XLogP of 4.95, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,4,5,7,8,9,10,10,11,11-dodecafluorotricyclo[5.2.2.02,6]undeca-2,5,8-triene is sourced from PubChem (CID 621373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).