3-bromo-3-chloro-4,4,5,5,6,6-hexafluorocyclohexene

C6H2BrClF6 — CID 150511473

IUPAC3-bromo-3-chloro-4,4,5,5,6,6-hexafluorocyclohexene
SMILESFC1(F)C=CC(Cl)(Br)C(F)(F)C1(F)F
InChIInChI=1S/C6H2BrClF6/c7-3(8)1-2-4(9,10)6(13,14)5(3,11)12/h1-2H
InChIKeyHZXZOOPVQZMTBM-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.79
Rot. Bonds

About 3-bromo-3-chloro-4,4,5,5,6,6-hexafluorocyclohexene

3-bromo-3-chloro-4,4,5,5,6,6-hexafluorocyclohexene (PubChem CID 150511473) has the molecular formula C6H2BrClF6 and a molecular weight of 303.43 g/mol. Its IUPAC name is 3-bromo-3-chloro-4,4,5,5,6,6-hexafluorocyclohexene.

Molecular Properties

Compound Name3-bromo-3-chloro-4,4,5,5,6,6-hexafluorocyclohexene
PubChem CID150511473
Molecular FormulaC6H2BrClF6
Molecular Weight303.43 g/mol
Exact Mass301.89
IUPAC Name3-bromo-3-chloro-4,4,5,5,6,6-hexafluorocyclohexene
SMILESFC1(F)C=CC(Cl)(Br)C(F)(F)C1(F)F
InChIInChI=1S/C6H2BrClF6/c7-3(8)1-2-4(9,10)6(13,14)5(3,11)12/h1-2H
InChIKeyHZXZOOPVQZMTBM-UHFFFAOYSA-N
XLogP3.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3,3,4,4,5,5,6,6-octafluorocyclohexene
CID 13054
3-chloro-3,4,4-trifluorocyclobutene
CID 19387489
1-bromo-1-chloro-2,2,3,3,4,4,5,5-octafluorocyclopentane
CID 70673702
1-chloro-1,2,2,3,3-pentafluorocyclopropane
CID 23233207
1,4-dibromo-1,2,2,3,3,4,5,5,6,6-decafluorocyclohexane
CID 71412615
3,3,4,4,5-pentafluoro-5-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxycyclopentene
CID 155670558
5,5,6,6-tetrafluorocyclohexa-1,3-diene
CID 12676459
cis-(2S,3R)-1-bromo-1,2,3-trichlorocyclopropane
CID 134985738
1-chloro-1,2,2,3,3,4,4,5,5,6,6,7,7-tridecafluorocycloheptane
CID 139815776
3,3-difluorocyclobutene
CID 139242801
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
1,4,4,5,5,6-hexafluoro-6-propan-2-ylcyclohex-2-ene-1-carboxylic acid
CID 154416702

Frequently Asked Questions

What is the IUPAC name of 3-bromo-3-chloro-4,4,5,5,6,6-hexafluorocyclohexene?
The IUPAC name of 3-bromo-3-chloro-4,4,5,5,6,6-hexafluorocyclohexene (CID 150511473) is 3-bromo-3-chloro-4,4,5,5,6,6-hexafluorocyclohexene.
What is the SMILES notation for 3-bromo-3-chloro-4,4,5,5,6,6-hexafluorocyclohexene?
The canonical SMILES for 3-bromo-3-chloro-4,4,5,5,6,6-hexafluorocyclohexene is FC1(F)C=CC(Cl)(Br)C(F)(F)C1(F)F.
What is the InChIKey of 3-bromo-3-chloro-4,4,5,5,6,6-hexafluorocyclohexene?
The InChIKey is HZXZOOPVQZMTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrClF6/c7-3(8)1-2-4(9,10)6(13,14)5(3,11)12/h1-2H.
What are the key properties of 3-bromo-3-chloro-4,4,5,5,6,6-hexafluorocyclohexene?
3-bromo-3-chloro-4,4,5,5,6,6-hexafluorocyclohexene has a molecular weight of 303.43 g/mol, XLogP of 3.79, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-3-chloro-4,4,5,5,6,6-hexafluorocyclohexene is sourced from PubChem (CID 150511473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).