1-(1-chloro-2,2-difluoroethenyl)-2,3,4,5,6-pentafluorobenzene

C8ClF7 — CID 12701532

IUPAC1-(1-chloro-2,2-difluoroethenyl)-2,3,4,5,6-pentafluorobenzene
SMILESFC(F)=C(Cl)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C8ClF7/c9-2(8(15)16)1-3(10)5(12)7(14)6(13)4(1)11
InChIKeyRYFRHYFPVLKJOM-UHFFFAOYSA-N
MW264.53 g/mol
LogP4.19
Rot. Bonds1

About 1-(1-chloro-2,2-difluoroethenyl)-2,3,4,5,6-pentafluorobenzene

1-(1-chloro-2,2-difluoroethenyl)-2,3,4,5,6-pentafluorobenzene (PubChem CID 12701532) has the molecular formula C8ClF7 and a molecular weight of 264.53 g/mol. Its IUPAC name is 1-(1-chloro-2,2-difluoroethenyl)-2,3,4,5,6-pentafluorobenzene.

Molecular Properties

Compound Name1-(1-chloro-2,2-difluoroethenyl)-2,3,4,5,6-pentafluorobenzene
PubChem CID12701532
Molecular FormulaC8ClF7
Molecular Weight264.53 g/mol
Exact Mass263.96
IUPAC Name1-(1-chloro-2,2-difluoroethenyl)-2,3,4,5,6-pentafluorobenzene
SMILESFC(F)=C(Cl)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C8ClF7/c9-2(8(15)16)1-3(10)5(12)7(14)6(13)4(1)11
InChIKeyRYFRHYFPVLKJOM-UHFFFAOYSA-N
XLogP4.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.53
LogP ≤ 54.19
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-(1-chloro-2,2-difluoroethenyl)-2,3,4,5,6-pentafluorobenzene?
The IUPAC name of 1-(1-chloro-2,2-difluoroethenyl)-2,3,4,5,6-pentafluorobenzene (CID 12701532) is 1-(1-chloro-2,2-difluoroethenyl)-2,3,4,5,6-pentafluorobenzene.
What is the SMILES notation for 1-(1-chloro-2,2-difluoroethenyl)-2,3,4,5,6-pentafluorobenzene?
The canonical SMILES for 1-(1-chloro-2,2-difluoroethenyl)-2,3,4,5,6-pentafluorobenzene is FC(F)=C(Cl)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 1-(1-chloro-2,2-difluoroethenyl)-2,3,4,5,6-pentafluorobenzene?
The InChIKey is RYFRHYFPVLKJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8ClF7/c9-2(8(15)16)1-3(10)5(12)7(14)6(13)4(1)11.
What are the key properties of 1-(1-chloro-2,2-difluoroethenyl)-2,3,4,5,6-pentafluorobenzene?
1-(1-chloro-2,2-difluoroethenyl)-2,3,4,5,6-pentafluorobenzene has a molecular weight of 264.53 g/mol, XLogP of 4.19, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-chloro-2,2-difluoroethenyl)-2,3,4,5,6-pentafluorobenzene is sourced from PubChem (CID 12701532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).