1,2,3,4,5-pentafluoro-6-(1,2,2-trifluoroethenyl)benzene

C8F8 — CID 601809

IUPAC1,2,3,4,5-pentafluoro-6-(1,2,2-trifluoroethenyl)benzene
SMILESFC(F)=C(F)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C8F8/c9-2-1(4(11)8(15)16)3(10)6(13)7(14)5(2)12
InChIKeyGZQZKLFXWPAMFW-UHFFFAOYSA-N
MW248.07 g/mol
LogP3.92
Rot. Bonds1

About 1,2,3,4,5-pentafluoro-6-(1,2,2-trifluoroethenyl)benzene

1,2,3,4,5-pentafluoro-6-(1,2,2-trifluoroethenyl)benzene (PubChem CID 601809) has the molecular formula C8F8 and a molecular weight of 248.07 g/mol. Its IUPAC name is 1,2,3,4,5-pentafluoro-6-(1,2,2-trifluoroethenyl)benzene.

Molecular Properties

Compound Name1,2,3,4,5-pentafluoro-6-(1,2,2-trifluoroethenyl)benzene
PubChem CID601809
Molecular FormulaC8F8
Molecular Weight248.07 g/mol
Exact Mass247.99
IUPAC Name1,2,3,4,5-pentafluoro-6-(1,2,2-trifluoroethenyl)benzene
SMILESFC(F)=C(F)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C8F8/c9-2-1(4(11)8(15)16)3(10)6(13)7(14)5(2)12
InChIKeyGZQZKLFXWPAMFW-UHFFFAOYSA-N
XLogP3.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.07
LogP ≤ 53.92
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-(1,2,2-trifluoroethenyl)benzene?
The IUPAC name of 1,2,3,4,5-pentafluoro-6-(1,2,2-trifluoroethenyl)benzene (CID 601809) is 1,2,3,4,5-pentafluoro-6-(1,2,2-trifluoroethenyl)benzene.
What is the SMILES notation for 1,2,3,4,5-pentafluoro-6-(1,2,2-trifluoroethenyl)benzene?
The canonical SMILES for 1,2,3,4,5-pentafluoro-6-(1,2,2-trifluoroethenyl)benzene is FC(F)=C(F)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 1,2,3,4,5-pentafluoro-6-(1,2,2-trifluoroethenyl)benzene?
The InChIKey is GZQZKLFXWPAMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8F8/c9-2-1(4(11)8(15)16)3(10)6(13)7(14)5(2)12.
What are the key properties of 1,2,3,4,5-pentafluoro-6-(1,2,2-trifluoroethenyl)benzene?
1,2,3,4,5-pentafluoro-6-(1,2,2-trifluoroethenyl)benzene has a molecular weight of 248.07 g/mol, XLogP of 3.92, 1 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-trifluoroethenyl)benzene is sourced from PubChem (CID 601809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).