(5S,6R)-5,6-dibromo-1,2,3,4,5,6-hexafluorobicyclo[2.2.0]hex-2-ene

C6Br2F6 — CID 23235276

IUPAC(5S,6R)-5,6-dibromo-1,2,3,4,5,6-hexafluorobicyclo[2.2.0]hex-2-ene
SMILESFC1=C(F)C2(F)C1(F)[C@](F)(Br)[C@]2(F)Br
InChIInChI=1S/C6Br2F6/c7-5(13)3(11)1(9)2(10)4(3,12)6(5,8)14/t3?,4?,5-,6+
InChIKeyORBIGFSKUAXLDY-OIMVXCEXSA-N
MW345.86 g/mol
LogP3.70
Rot. Bonds

About (5S,6R)-5,6-dibromo-1,2,3,4,5,6-hexafluorobicyclo[2.2.0]hex-2-ene

(5S,6R)-5,6-dibromo-1,2,3,4,5,6-hexafluorobicyclo[2.2.0]hex-2-ene (PubChem CID 23235276) has the molecular formula C6Br2F6 and a molecular weight of 345.86 g/mol. Its IUPAC name is (5S,6R)-5,6-dibromo-1,2,3,4,5,6-hexafluorobicyclo[2.2.0]hex-2-ene.

Molecular Properties

Compound Name(5S,6R)-5,6-dibromo-1,2,3,4,5,6-hexafluorobicyclo[2.2.0]hex-2-ene
PubChem CID23235276
Molecular FormulaC6Br2F6
Molecular Weight345.86 g/mol
Exact Mass343.83
IUPAC Name(5S,6R)-5,6-dibromo-1,2,3,4,5,6-hexafluorobicyclo[2.2.0]hex-2-ene
SMILESFC1=C(F)C2(F)C1(F)[C@](F)(Br)[C@]2(F)Br
InChIInChI=1S/C6Br2F6/c7-5(13)3(11)1(9)2(10)4(3,12)6(5,8)14/t3?,4?,5-,6+
InChIKeyORBIGFSKUAXLDY-OIMVXCEXSA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.86
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (5S,6R)-5,6-dibromo-1,2,3,4,5,6-hexafluorobicyclo[2.2.0]hex-2-ene with MolForge

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Related Compounds

1,2,3,4,5,5,6,6,7,7-decafluorobicyclo[2.2.1]hept-2-ene
CID 15573718
(2S,5R)-2,5-dibromo-2,3,4,5-tetrafluorofuran
CID 23235462
1,2,3,3,4,5,6,6-octafluorocyclohexa-1,4-diene
CID 12697770
1,4-dibromo-1,2,2,3,3,4,5,5,6,6-decafluorocyclohexane
CID 71412615
(1Z,5Z)-1,2,3,3,4,4,5,6,7,7,8,8-dodecafluorocycloocta-1,5-diene;platinum
CID 87582607
2-bromo-1,1,2,3,3,4,4,5,6,7,8-undecafluoronaphthalene
CID 12521074
1,2,3,3,4,4,5,5-octafluorocyclopentene
CID 11212
(1Z)-1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-octadecafluorocyclodecene
CID 139346859
5-chloro-1,2,3,4,5-pentafluorocyclopenta-1,3-diene
CID 14024623
2,2,3,4,5,5-hexafluorothiophene 1,1-dioxide
CID 89312231
1,2,4,5,6,7,7-heptafluorobicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 89386743
1,2,3,3,4,6,6-heptafluoro-5-iodocyclohexa-1,4-diene
CID 13416579

Frequently Asked Questions

What is the IUPAC name of (5S,6R)-5,6-dibromo-1,2,3,4,5,6-hexafluorobicyclo[2.2.0]hex-2-ene?
The IUPAC name of (5S,6R)-5,6-dibromo-1,2,3,4,5,6-hexafluorobicyclo[2.2.0]hex-2-ene (CID 23235276) is (5S,6R)-5,6-dibromo-1,2,3,4,5,6-hexafluorobicyclo[2.2.0]hex-2-ene.
What is the SMILES notation for (5S,6R)-5,6-dibromo-1,2,3,4,5,6-hexafluorobicyclo[2.2.0]hex-2-ene?
The canonical SMILES for (5S,6R)-5,6-dibromo-1,2,3,4,5,6-hexafluorobicyclo[2.2.0]hex-2-ene is FC1=C(F)C2(F)C1(F)[C@](F)(Br)[C@]2(F)Br.
What is the InChIKey of (5S,6R)-5,6-dibromo-1,2,3,4,5,6-hexafluorobicyclo[2.2.0]hex-2-ene?
The InChIKey is ORBIGFSKUAXLDY-OIMVXCEXSA-N. The full InChI is InChI=1S/C6Br2F6/c7-5(13)3(11)1(9)2(10)4(3,12)6(5,8)14/t3?,4?,5-,6+.
What are the key properties of (5S,6R)-5,6-dibromo-1,2,3,4,5,6-hexafluorobicyclo[2.2.0]hex-2-ene?
(5S,6R)-5,6-dibromo-1,2,3,4,5,6-hexafluorobicyclo[2.2.0]hex-2-ene has a molecular weight of 345.86 g/mol, XLogP of 3.70, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R)-5,6-dibromo-1,2,3,4,5,6-hexafluorobicyclo[2.2.0]hex-2-ene is sourced from PubChem (CID 23235276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).