1,2,4,5-tetrafluoro-3-[3-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]cyclopenta-1,3-dien-1-yl]-6-(trifluoromethyl)benzene

C19H4F14 — CID 102181048

IUPAC1,2,4,5-tetrafluoro-3-[3-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]cyclopenta-1,3-dien-1-yl]-6-(trifluoromethyl)benzene
SMILESFc1c(F)c(C(F)(F)F)c(F)c(F)c1C1=CCC(c2c(F)c(F)c(C(F)(F)F)c(F)c2F)=C1
InChIInChI=1S/C19H4F14/c20-10-6(11(21)15(25)8(14(10)24)18(28,29)30)4-1-2-5(3-4)7-12(22)16(26)9(19(31,32)33)17(27)13(7)23/h1,3H,2H2
InChIKeyCGUKWEQPHUCVLF-UHFFFAOYSA-N
MW498.21 g/mol
LogP7.71
Rot. Bonds2

About 1,2,4,5-tetrafluoro-3-[3-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]cyclopenta-1,3-dien-1-yl]-6-(trifluoromethyl)benzene

1,2,4,5-tetrafluoro-3-[3-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]cyclopenta-1,3-dien-1-yl]-6-(trifluoromethyl)benzene (PubChem CID 102181048) has the molecular formula C19H4F14 and a molecular weight of 498.21 g/mol. Its IUPAC name is 1,2,4,5-tetrafluoro-3-[3-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]cyclopenta-1,3-dien-1-yl]-6-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1,2,4,5-tetrafluoro-3-[3-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]cyclopenta-1,3-dien-1-yl]-6-(trifluoromethyl)benzene
PubChem CID102181048
Molecular FormulaC19H4F14
Molecular Weight498.21 g/mol
Exact Mass498.01
IUPAC Name1,2,4,5-tetrafluoro-3-[3-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]cyclopenta-1,3-dien-1-yl]-6-(trifluoromethyl)benzene
SMILESFc1c(F)c(C(F)(F)F)c(F)c(F)c1C1=CCC(c2c(F)c(F)c(C(F)(F)F)c(F)c2F)=C1
InChIInChI=1S/C19H4F14/c20-10-6(11(21)15(25)8(14(10)24)18(28,29)30)4-1-2-5(3-4)7-12(22)16(26)9(19(31,32)33)17(27)13(7)23/h1,3H,2H2
InChIKeyCGUKWEQPHUCVLF-UHFFFAOYSA-N
XLogP7.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.21
LogP ≤ 57.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetrafluoro-3-[3-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]cyclopenta-1,3-dien-1-yl]-6-(trifluoromethyl)benzene?
The IUPAC name of 1,2,4,5-tetrafluoro-3-[3-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]cyclopenta-1,3-dien-1-yl]-6-(trifluoromethyl)benzene (CID 102181048) is 1,2,4,5-tetrafluoro-3-[3-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]cyclopenta-1,3-dien-1-yl]-6-(trifluoromethyl)benzene.
What is the SMILES notation for 1,2,4,5-tetrafluoro-3-[3-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]cyclopenta-1,3-dien-1-yl]-6-(trifluoromethyl)benzene?
The canonical SMILES for 1,2,4,5-tetrafluoro-3-[3-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]cyclopenta-1,3-dien-1-yl]-6-(trifluoromethyl)benzene is Fc1c(F)c(C(F)(F)F)c(F)c(F)c1C1=CCC(c2c(F)c(F)c(C(F)(F)F)c(F)c2F)=C1.
What is the InChIKey of 1,2,4,5-tetrafluoro-3-[3-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]cyclopenta-1,3-dien-1-yl]-6-(trifluoromethyl)benzene?
The InChIKey is CGUKWEQPHUCVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H4F14/c20-10-6(11(21)15(25)8(14(10)24)18(28,29)30)4-1-2-5(3-4)7-12(22)16(26)9(19(31,32)33)17(27)13(7)23/h1,3H,2H2.
What are the key properties of 1,2,4,5-tetrafluoro-3-[3-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]cyclopenta-1,3-dien-1-yl]-6-(trifluoromethyl)benzene?
1,2,4,5-tetrafluoro-3-[3-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]cyclopenta-1,3-dien-1-yl]-6-(trifluoromethyl)benzene has a molecular weight of 498.21 g/mol, XLogP of 7.71, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5-tetrafluoro-3-[3-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]cyclopenta-1,3-dien-1-yl]-6-(trifluoromethyl)benzene is sourced from PubChem (CID 102181048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).