1,2,3,4,5-pentafluoro-6-(3,3,3-trifluoroprop-1-en-2-yl)benzene

C9H2F8 — CID 23236517

IUPAC1,2,3,4,5-pentafluoro-6-(3,3,3-trifluoroprop-1-en-2-yl)benzene
SMILESC=C(c1c(F)c(F)c(F)c(F)c1F)C(F)(F)F
InChIInChI=1S/C9H2F8/c1-2(9(15,16)17)3-4(10)6(12)8(14)7(13)5(3)11/h1H2
InChIKeyUIHVAMFYVANNNL-UHFFFAOYSA-N
MW262.10 g/mol
LogP3.96
Rot. Bonds1

About 1,2,3,4,5-pentafluoro-6-(3,3,3-trifluoroprop-1-en-2-yl)benzene

1,2,3,4,5-pentafluoro-6-(3,3,3-trifluoroprop-1-en-2-yl)benzene (PubChem CID 23236517) has the molecular formula C9H2F8 and a molecular weight of 262.10 g/mol. Its IUPAC name is 1,2,3,4,5-pentafluoro-6-(3,3,3-trifluoroprop-1-en-2-yl)benzene.

Molecular Properties

Compound Name1,2,3,4,5-pentafluoro-6-(3,3,3-trifluoroprop-1-en-2-yl)benzene
PubChem CID23236517
Molecular FormulaC9H2F8
Molecular Weight262.10 g/mol
Exact Mass262.00
IUPAC Name1,2,3,4,5-pentafluoro-6-(3,3,3-trifluoroprop-1-en-2-yl)benzene
SMILESC=C(c1c(F)c(F)c(F)c(F)c1F)C(F)(F)F
InChIInChI=1S/C9H2F8/c1-2(9(15,16)17)3-4(10)6(12)8(14)7(13)5(3)11/h1H2
InChIKeyUIHVAMFYVANNNL-UHFFFAOYSA-N
XLogP3.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.10
LogP ≤ 53.96
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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Related Compounds

Octafluorotoluene
CID 9906
Benzene, 1-fluoro-4-(trifluoromethyl)-
CID 67873
alpha,alpha,alpha,3-Tetrafluorotoluene
CID 67867
(2,2,2-Trifluoroethyl)benzene
CID 285373
1,1'-Biphenyl, 2,2',3,3',5,5',6,6'-octafluoro-
CID 77492
Benzene, 1-fluoro-2-(trifluoromethyl)-
CID 9807
Pentafluoromethylbenzene
CID 69869
Allylpentafluorobenzene
CID 74435
alpha-(Trifluoromethyl)styrene
CID 2777817
4-(Heptafluoroisopropyl)tetrafluorobenzotrifluoride
CID 2776193
1-Fluoro-4-(2,2,2-trifluoroethyl)benzene
CID 285369
(Heptafluoroisopropyl)benzene
CID 581593

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentafluoro-6-(3,3,3-trifluoroprop-1-en-2-yl)benzene?
The IUPAC name of 1,2,3,4,5-pentafluoro-6-(3,3,3-trifluoroprop-1-en-2-yl)benzene (CID 23236517) is 1,2,3,4,5-pentafluoro-6-(3,3,3-trifluoroprop-1-en-2-yl)benzene.
What is the SMILES notation for 1,2,3,4,5-pentafluoro-6-(3,3,3-trifluoroprop-1-en-2-yl)benzene?
The canonical SMILES for 1,2,3,4,5-pentafluoro-6-(3,3,3-trifluoroprop-1-en-2-yl)benzene is C=C(c1c(F)c(F)c(F)c(F)c1F)C(F)(F)F.
What is the InChIKey of 1,2,3,4,5-pentafluoro-6-(3,3,3-trifluoroprop-1-en-2-yl)benzene?
The InChIKey is UIHVAMFYVANNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H2F8/c1-2(9(15,16)17)3-4(10)6(12)8(14)7(13)5(3)11/h1H2.
What are the key properties of 1,2,3,4,5-pentafluoro-6-(3,3,3-trifluoroprop-1-en-2-yl)benzene?
1,2,3,4,5-pentafluoro-6-(3,3,3-trifluoroprop-1-en-2-yl)benzene has a molecular weight of 262.10 g/mol, XLogP of 3.96, 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-(3,3,3-trifluoroprop-1-en-2-yl)benzene is sourced from PubChem (CID 23236517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).