1,2,3,4,5-pentafluoro-6-[1,2,2,2-tetrafluoro-1-[2,3,4,5,6-pentafluoro-1,6-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethyl]-5,6-bis(trifluoromethyl)cyclohexa-1,3-diene

C18F26 — CID 141498999

IUPAC1,2,3,4,5-pentafluoro-6-[1,2,2,2-tetrafluoro-1-[2,3,4,5,6-pentafluoro-1,6-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethyl]-5,6-bis(trifluoromethyl)cyclohexa-1,3-diene
SMILESFC1=C(F)C(F)(C(F)(F)F)C(C(F)(F)F)(C(F)(C(F)(F)F)C2(C(F)(F)F)C(F)=C(F)C(F)=C(F)C2(F)C(F)(F)F)C(F)=C1F
InChIInChI=1S/C18F26/c19-1-3(21)7(25)11(27,16(36,37)38)9(5(1)23,14(30,31)32)13(29,18(42,43)44)10(15(33,34)35)6(24)2(20)4(22)8(26)12(10,28)17(39,40)41
InChIKeyIFXHUTKPOQDGHT-UHFFFAOYSA-N
MW710.15 g/mol
LogP10.53
Rot. Bonds2

About 1,2,3,4,5-pentafluoro-6-[1,2,2,2-tetrafluoro-1-[2,3,4,5,6-pentafluoro-1,6-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethyl]-5,6-bis(trifluoromethyl)cyclohexa-1,3-diene

1,2,3,4,5-pentafluoro-6-[1,2,2,2-tetrafluoro-1-[2,3,4,5,6-pentafluoro-1,6-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethyl]-5,6-bis(trifluoromethyl)cyclohexa-1,3-diene (PubChem CID 141498999) has the molecular formula C18F26 and a molecular weight of 710.15 g/mol. Its IUPAC name is 1,2,3,4,5-pentafluoro-6-[1,2,2,2-tetrafluoro-1-[2,3,4,5,6-pentafluoro-1,6-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethyl]-5,6-bis(trifluoromethyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name1,2,3,4,5-pentafluoro-6-[1,2,2,2-tetrafluoro-1-[2,3,4,5,6-pentafluoro-1,6-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethyl]-5,6-bis(trifluoromethyl)cyclohexa-1,3-diene
PubChem CID141498999
Molecular FormulaC18F26
Molecular Weight710.15 g/mol
Exact Mass709.96
IUPAC Name1,2,3,4,5-pentafluoro-6-[1,2,2,2-tetrafluoro-1-[2,3,4,5,6-pentafluoro-1,6-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethyl]-5,6-bis(trifluoromethyl)cyclohexa-1,3-diene
SMILESFC1=C(F)C(F)(C(F)(F)F)C(C(F)(F)F)(C(F)(C(F)(F)F)C2(C(F)(F)F)C(F)=C(F)C(F)=C(F)C2(F)C(F)(F)F)C(F)=C1F
InChIInChI=1S/C18F26/c19-1-3(21)7(25)11(27,16(36,37)38)9(5(1)23,14(30,31)32)13(29,18(42,43)44)10(15(33,34)35)6(24)2(20)4(22)8(26)12(10,28)17(39,40)41
InChIKeyIFXHUTKPOQDGHT-UHFFFAOYSA-N
XLogP10.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.15
LogP ≤ 510.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,2,3,4,5-pentafluoro-6-[1,2,2,2-tetrafluoro-1-[2,3,4,5,6-pentafluoro-1,6-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethyl]-5,6-bis(trifluoromethyl)cyclohexa-1,3-diene with MolForge

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Related Compounds

1,3,3,4,4,5,6,6-Octafluoro-5-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-2-(trifluoromethyl)cyclohexene
CID 44476393
6-(Difluoromethylidene)-2,3,3,4,4,5,5-heptafluoro-1-[1,1,1,3,3,4,4,4-octafluoro-2-(trifluoromethyl)butan-2-yl]cyclohexene
CID 140118130
5-[Difluoro-[2,3,4,5,6-pentafluoro-1,6-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]-1,2,3,4,6-pentafluoro-5,6-bis(trifluoromethyl)cyclohexa-1,3-diene
CID 141498998

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentafluoro-6-[1,2,2,2-tetrafluoro-1-[2,3,4,5,6-pentafluoro-1,6-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethyl]-5,6-bis(trifluoromethyl)cyclohexa-1,3-diene?
The IUPAC name of 1,2,3,4,5-pentafluoro-6-[1,2,2,2-tetrafluoro-1-[2,3,4,5,6-pentafluoro-1,6-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethyl]-5,6-bis(trifluoromethyl)cyclohexa-1,3-diene (CID 141498999) is 1,2,3,4,5-pentafluoro-6-[1,2,2,2-tetrafluoro-1-[2,3,4,5,6-pentafluoro-1,6-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethyl]-5,6-bis(trifluoromethyl)cyclohexa-1,3-diene.
What is the SMILES notation for 1,2,3,4,5-pentafluoro-6-[1,2,2,2-tetrafluoro-1-[2,3,4,5,6-pentafluoro-1,6-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethyl]-5,6-bis(trifluoromethyl)cyclohexa-1,3-diene?
The canonical SMILES for 1,2,3,4,5-pentafluoro-6-[1,2,2,2-tetrafluoro-1-[2,3,4,5,6-pentafluoro-1,6-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethyl]-5,6-bis(trifluoromethyl)cyclohexa-1,3-diene is FC1=C(F)C(F)(C(F)(F)F)C(C(F)(F)F)(C(F)(C(F)(F)F)C2(C(F)(F)F)C(F)=C(F)C(F)=C(F)C2(F)C(F)(F)F)C(F)=C1F.
What is the InChIKey of 1,2,3,4,5-pentafluoro-6-[1,2,2,2-tetrafluoro-1-[2,3,4,5,6-pentafluoro-1,6-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethyl]-5,6-bis(trifluoromethyl)cyclohexa-1,3-diene?
The InChIKey is IFXHUTKPOQDGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18F26/c19-1-3(21)7(25)11(27,16(36,37)38)9(5(1)23,14(30,31)32)13(29,18(42,43)44)10(15(33,34)35)6(24)2(20)4(22)8(26)12(10,28)17(39,40)41.
What are the key properties of 1,2,3,4,5-pentafluoro-6-[1,2,2,2-tetrafluoro-1-[2,3,4,5,6-pentafluoro-1,6-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethyl]-5,6-bis(trifluoromethyl)cyclohexa-1,3-diene?
1,2,3,4,5-pentafluoro-6-[1,2,2,2-tetrafluoro-1-[2,3,4,5,6-pentafluoro-1,6-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethyl]-5,6-bis(trifluoromethyl)cyclohexa-1,3-diene has a molecular weight of 710.15 g/mol, XLogP of 10.53, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentafluoro-6-[1,2,2,2-tetrafluoro-1-[2,3,4,5,6-pentafluoro-1,6-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethyl]-5,6-bis(trifluoromethyl)cyclohexa-1,3-diene is sourced from PubChem (CID 141498999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).