1,2,3,4,5-pentafluoro-6-[(E)-2-phenylethenyl]benzene

C14H7F5 — CID 11231021

IUPAC1,2,3,4,5-pentafluoro-6-[(E)-2-phenylethenyl]benzene
SMILESFc1c(F)c(F)c(/C=C/c2ccccc2)c(F)c1F
InChIInChI=1S/C14H7F5/c15-10-9(7-6-8-4-2-1-3-5-8)11(16)13(18)14(19)12(10)17/h1-7H/b7-6+
InChIKeyFGXKQXGCJXOIAL-VOTSOKGWSA-N
MW270.20 g/mol
LogP4.55
Rot. Bonds2

About 1,2,3,4,5-pentafluoro-6-[(E)-2-phenylethenyl]benzene

1,2,3,4,5-pentafluoro-6-[(E)-2-phenylethenyl]benzene (PubChem CID 11231021) has the molecular formula C14H7F5 and a molecular weight of 270.20 g/mol. Its IUPAC name is 1,2,3,4,5-pentafluoro-6-[(E)-2-phenylethenyl]benzene.

Molecular Properties

Compound Name1,2,3,4,5-pentafluoro-6-[(E)-2-phenylethenyl]benzene
PubChem CID11231021
Molecular FormulaC14H7F5
Molecular Weight270.20 g/mol
Exact Mass270.05
IUPAC Name1,2,3,4,5-pentafluoro-6-[(E)-2-phenylethenyl]benzene
SMILESFc1c(F)c(F)c(/C=C/c2ccccc2)c(F)c1F
InChIInChI=1S/C14H7F5/c15-10-9(7-6-8-4-2-1-3-5-8)11(16)13(18)14(19)12(10)17/h1-7H/b7-6+
InChIKeyFGXKQXGCJXOIAL-VOTSOKGWSA-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 ≤ 500270.20
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'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentafluoro-6-[(E)-2-phenylethenyl]benzene?
The IUPAC name of 1,2,3,4,5-pentafluoro-6-[(E)-2-phenylethenyl]benzene (CID 11231021) is 1,2,3,4,5-pentafluoro-6-[(E)-2-phenylethenyl]benzene.
What is the SMILES notation for 1,2,3,4,5-pentafluoro-6-[(E)-2-phenylethenyl]benzene?
The canonical SMILES for 1,2,3,4,5-pentafluoro-6-[(E)-2-phenylethenyl]benzene is Fc1c(F)c(F)c(/C=C/c2ccccc2)c(F)c1F.
What is the InChIKey of 1,2,3,4,5-pentafluoro-6-[(E)-2-phenylethenyl]benzene?
The InChIKey is FGXKQXGCJXOIAL-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H7F5/c15-10-9(7-6-8-4-2-1-3-5-8)11(16)13(18)14(19)12(10)17/h1-7H/b7-6+.
What are the key properties of 1,2,3,4,5-pentafluoro-6-[(E)-2-phenylethenyl]benzene?
1,2,3,4,5-pentafluoro-6-[(E)-2-phenylethenyl]benzene has a molecular weight of 270.20 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-[(E)-2-phenylethenyl]benzene is sourced from PubChem (CID 11231021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).