1,2,3,4,5-pentafluoro-6-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]benzene

C14F12 — CID 54510849

IUPAC1,2,3,4,5-pentafluoro-6-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]benzene
SMILESFC(F)=C(F)c1c(F)c(F)c(-c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C14F12/c15-4-1(2-6(17)11(22)13(24)12(23)7(2)18)5(16)9(20)3(8(4)19)10(21)14(25)26
InChIKeyYIZXEHWYXLDIID-UHFFFAOYSA-N
MW396.13 g/mol
LogP6.14
Rot. Bonds2

About 1,2,3,4,5-pentafluoro-6-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]benzene

1,2,3,4,5-pentafluoro-6-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]benzene (PubChem CID 54510849) has the molecular formula C14F12 and a molecular weight of 396.13 g/mol. Its IUPAC name is 1,2,3,4,5-pentafluoro-6-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]benzene.

Molecular Properties

Compound Name1,2,3,4,5-pentafluoro-6-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]benzene
PubChem CID54510849
Molecular FormulaC14F12
Molecular Weight396.13 g/mol
Exact Mass395.98
IUPAC Name1,2,3,4,5-pentafluoro-6-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]benzene
SMILESFC(F)=C(F)c1c(F)c(F)c(-c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C14F12/c15-4-1(2-6(17)11(22)13(24)12(23)7(2)18)5(16)9(20)3(8(4)19)10(21)14(25)26
InChIKeyYIZXEHWYXLDIID-UHFFFAOYSA-N
XLogP6.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.13
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentafluoro-6-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]benzene?
The IUPAC name of 1,2,3,4,5-pentafluoro-6-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]benzene (CID 54510849) is 1,2,3,4,5-pentafluoro-6-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]benzene.
What is the SMILES notation for 1,2,3,4,5-pentafluoro-6-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]benzene?
The canonical SMILES for 1,2,3,4,5-pentafluoro-6-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]benzene is FC(F)=C(F)c1c(F)c(F)c(-c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.
What is the InChIKey of 1,2,3,4,5-pentafluoro-6-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]benzene?
The InChIKey is YIZXEHWYXLDIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14F12/c15-4-1(2-6(17)11(22)13(24)12(23)7(2)18)5(16)9(20)3(8(4)19)10(21)14(25)26.
What are the key properties of 1,2,3,4,5-pentafluoro-6-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]benzene?
1,2,3,4,5-pentafluoro-6-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]benzene has a molecular weight of 396.13 g/mol, XLogP of 6.14, 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-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]benzene is sourced from PubChem (CID 54510849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).