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

C9F10 — CID 2775989

IUPAC1,2,3,4,5-pentafluoro-6-(1,1,2,3,3-pentafluoroprop-2-enyl)benzene
SMILESFC(F)=C(F)C(F)(F)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C9F10/c10-2-1(9(18,19)7(15)8(16)17)3(11)5(13)6(14)4(2)12
InChIKeyWRHBYJDZKRNITP-UHFFFAOYSA-N
MW298.08 g/mol
LogP4.55
Rot. Bonds2

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

1,2,3,4,5-pentafluoro-6-(1,1,2,3,3-pentafluoroprop-2-enyl)benzene (PubChem CID 2775989) has the molecular formula C9F10 and a molecular weight of 298.08 g/mol. Its IUPAC name is 1,2,3,4,5-pentafluoro-6-(1,1,2,3,3-pentafluoroprop-2-enyl)benzene.

Molecular Properties

Compound Name1,2,3,4,5-pentafluoro-6-(1,1,2,3,3-pentafluoroprop-2-enyl)benzene
PubChem CID2775989
Molecular FormulaC9F10
Molecular Weight298.08 g/mol
Exact Mass297.98
IUPAC Name1,2,3,4,5-pentafluoro-6-(1,1,2,3,3-pentafluoroprop-2-enyl)benzene
SMILESFC(F)=C(F)C(F)(F)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C9F10/c10-2-1(9(18,19)7(15)8(16)17)3(11)5(13)6(14)4(2)12
InChIKeyWRHBYJDZKRNITP-UHFFFAOYSA-N
XLogP4.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.08
LogP ≤ 54.55
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-(1,1,2,3,3-pentafluoroprop-2-enyl)benzene?
The IUPAC name of 1,2,3,4,5-pentafluoro-6-(1,1,2,3,3-pentafluoroprop-2-enyl)benzene (CID 2775989) is 1,2,3,4,5-pentafluoro-6-(1,1,2,3,3-pentafluoroprop-2-enyl)benzene.
What is the SMILES notation for 1,2,3,4,5-pentafluoro-6-(1,1,2,3,3-pentafluoroprop-2-enyl)benzene?
The canonical SMILES for 1,2,3,4,5-pentafluoro-6-(1,1,2,3,3-pentafluoroprop-2-enyl)benzene is FC(F)=C(F)C(F)(F)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 1,2,3,4,5-pentafluoro-6-(1,1,2,3,3-pentafluoroprop-2-enyl)benzene?
The InChIKey is WRHBYJDZKRNITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9F10/c10-2-1(9(18,19)7(15)8(16)17)3(11)5(13)6(14)4(2)12.
What are the key properties of 1,2,3,4,5-pentafluoro-6-(1,1,2,3,3-pentafluoroprop-2-enyl)benzene?
1,2,3,4,5-pentafluoro-6-(1,1,2,3,3-pentafluoroprop-2-enyl)benzene has a molecular weight of 298.08 g/mol, XLogP of 4.55, 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-(1,1,2,3,3-pentafluoroprop-2-enyl)benzene is sourced from PubChem (CID 2775989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).