3,4,5,6-tetrachloro-1,2,3,4,5,6-hexafluorocyclohexene

C6Cl4F6 — CID 175040926

IUPAC3,4,5,6-tetrachloro-1,2,3,4,5,6-hexafluorocyclohexene
SMILESFC1=C(F)C(F)(Cl)C(F)(Cl)C(F)(Cl)C1(F)Cl
InChIInChI=1S/C6Cl4F6/c7-3(13)1(11)2(12)4(8,14)6(10,16)5(3,9)15
InChIKeyCFMKPEQPCGJBLR-UHFFFAOYSA-N
MW327.87 g/mol
LogP4.77
Rot. Bonds

About 3,4,5,6-tetrachloro-1,2,3,4,5,6-hexafluorocyclohexene

3,4,5,6-tetrachloro-1,2,3,4,5,6-hexafluorocyclohexene (PubChem CID 175040926) has the molecular formula C6Cl4F6 and a molecular weight of 327.87 g/mol. Its IUPAC name is 3,4,5,6-tetrachloro-1,2,3,4,5,6-hexafluorocyclohexene.

Molecular Properties

Compound Name3,4,5,6-tetrachloro-1,2,3,4,5,6-hexafluorocyclohexene
PubChem CID175040926
Molecular FormulaC6Cl4F6
Molecular Weight327.87 g/mol
Exact Mass325.87
IUPAC Name3,4,5,6-tetrachloro-1,2,3,4,5,6-hexafluorocyclohexene
SMILESFC1=C(F)C(F)(Cl)C(F)(Cl)C(F)(Cl)C1(F)Cl
InChIInChI=1S/C6Cl4F6/c7-3(13)1(11)2(12)4(8,14)6(10,16)5(3,9)15
InChIKeyCFMKPEQPCGJBLR-UHFFFAOYSA-N
XLogP4.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.87
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-1,2,3,4,5-pentafluorocyclopenta-1,3-diene
CID 14024623
1-chloro-1,2,2,3,3-pentafluorocyclopropane
CID 23233207
1,2,3,4-tetrachloro-3,4,5,5-tetrafluorocyclopentene
CID 11346464
1,2,3,3,4,5,6,6-octafluorocyclohexa-1,4-diene
CID 12697770
1-chloro-1,2,2,3,3,4,4,5,5,6,6,7,7-tridecafluorocycloheptane
CID 139815776
(1Z,5Z)-1,2,3,3,4,4,5,6,7,7,8,8-dodecafluorocycloocta-1,5-diene;platinum
CID 87582607
3-chloro-1,2,3-trifluorocyclopentene
CID 141084746
3-chloro-2,2,3,4,4-pentafluorocyclobutan-1-one
CID 160731078
(3aS,6S,7aR)-6-chloro-3a,4,5,6,7a-pentafluorospiro[3H-indazole-7,2'-oxirane]
CID 101063992
1,2,3,3,4,4,5,5-octafluorocyclopentene
CID 11212
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

Frequently Asked Questions

What is the IUPAC name of 3,4,5,6-tetrachloro-1,2,3,4,5,6-hexafluorocyclohexene?
The IUPAC name of 3,4,5,6-tetrachloro-1,2,3,4,5,6-hexafluorocyclohexene (CID 175040926) is 3,4,5,6-tetrachloro-1,2,3,4,5,6-hexafluorocyclohexene.
What is the SMILES notation for 3,4,5,6-tetrachloro-1,2,3,4,5,6-hexafluorocyclohexene?
The canonical SMILES for 3,4,5,6-tetrachloro-1,2,3,4,5,6-hexafluorocyclohexene is FC1=C(F)C(F)(Cl)C(F)(Cl)C(F)(Cl)C1(F)Cl.
What is the InChIKey of 3,4,5,6-tetrachloro-1,2,3,4,5,6-hexafluorocyclohexene?
The InChIKey is CFMKPEQPCGJBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6Cl4F6/c7-3(13)1(11)2(12)4(8,14)6(10,16)5(3,9)15.
What are the key properties of 3,4,5,6-tetrachloro-1,2,3,4,5,6-hexafluorocyclohexene?
3,4,5,6-tetrachloro-1,2,3,4,5,6-hexafluorocyclohexene has a molecular weight of 327.87 g/mol, XLogP of 4.77, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,6-tetrachloro-1,2,3,4,5,6-hexafluorocyclohexene is sourced from PubChem (CID 175040926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).