1-ethenyl-2-(2,2,3,3,4,4-hexafluorobutyl)benzene

C12H10F6 — CID 19364561

IUPAC1-ethenyl-2-(2,2,3,3,4,4-hexafluorobutyl)benzene
SMILESC=Cc1ccccc1CC(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C12H10F6/c1-2-8-5-3-4-6-9(8)7-11(15,16)12(17,18)10(13)14/h2-6,10H,1,7H2
InChIKeyHWMIMUXNYVNEOH-UHFFFAOYSA-N
MW268.20 g/mol
LogP4.41
Rot. Bonds5

About 1-ethenyl-2-(2,2,3,3,4,4-hexafluorobutyl)benzene

1-ethenyl-2-(2,2,3,3,4,4-hexafluorobutyl)benzene (PubChem CID 19364561) has the molecular formula C12H10F6 and a molecular weight of 268.20 g/mol. Its IUPAC name is 1-ethenyl-2-(2,2,3,3,4,4-hexafluorobutyl)benzene.

Molecular Properties

Compound Name1-ethenyl-2-(2,2,3,3,4,4-hexafluorobutyl)benzene
PubChem CID19364561
Molecular FormulaC12H10F6
Molecular Weight268.20 g/mol
Exact Mass268.07
IUPAC Name1-ethenyl-2-(2,2,3,3,4,4-hexafluorobutyl)benzene
SMILESC=Cc1ccccc1CC(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C12H10F6/c1-2-8-5-3-4-6-9(8)7-11(15,16)12(17,18)10(13)14/h2-6,10H,1,7H2
InChIKeyHWMIMUXNYVNEOH-UHFFFAOYSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.20
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2-(2,2,3,3,4,4-hexafluorobutyl)benzene?
The IUPAC name of 1-ethenyl-2-(2,2,3,3,4,4-hexafluorobutyl)benzene (CID 19364561) is 1-ethenyl-2-(2,2,3,3,4,4-hexafluorobutyl)benzene.
What is the SMILES notation for 1-ethenyl-2-(2,2,3,3,4,4-hexafluorobutyl)benzene?
The canonical SMILES for 1-ethenyl-2-(2,2,3,3,4,4-hexafluorobutyl)benzene is C=Cc1ccccc1CC(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 1-ethenyl-2-(2,2,3,3,4,4-hexafluorobutyl)benzene?
The InChIKey is HWMIMUXNYVNEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F6/c1-2-8-5-3-4-6-9(8)7-11(15,16)12(17,18)10(13)14/h2-6,10H,1,7H2.
What are the key properties of 1-ethenyl-2-(2,2,3,3,4,4-hexafluorobutyl)benzene?
1-ethenyl-2-(2,2,3,3,4,4-hexafluorobutyl)benzene has a molecular weight of 268.20 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-(2,2,3,3,4,4-hexafluorobutyl)benzene is sourced from PubChem (CID 19364561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).