1-ethenyl-4-(1,1,2,2,2-pentafluoroethyl)benzene

C10H7F5 — CID 18928984

IUPAC1-ethenyl-4-(1,1,2,2,2-pentafluoroethyl)benzene
SMILESC=Cc1ccc(C(F)(F)C(F)(F)F)cc1
InChIInChI=1S/C10H7F5/c1-2-7-3-5-8(6-4-7)9(11,12)10(13,14)15/h2-6H,1H2
InChIKeyMFVDUIHKJSUENA-UHFFFAOYSA-N
MW222.16 g/mol
LogP3.98
Rot. Bonds2

About 1-ethenyl-4-(1,1,2,2,2-pentafluoroethyl)benzene

1-ethenyl-4-(1,1,2,2,2-pentafluoroethyl)benzene (PubChem CID 18928984) has the molecular formula C10H7F5 and a molecular weight of 222.16 g/mol. Its IUPAC name is 1-ethenyl-4-(1,1,2,2,2-pentafluoroethyl)benzene.

Molecular Properties

Compound Name1-ethenyl-4-(1,1,2,2,2-pentafluoroethyl)benzene
PubChem CID18928984
Molecular FormulaC10H7F5
Molecular Weight222.16 g/mol
Exact Mass222.05
IUPAC Name1-ethenyl-4-(1,1,2,2,2-pentafluoroethyl)benzene
SMILESC=Cc1ccc(C(F)(F)C(F)(F)F)cc1
InChIInChI=1S/C10H7F5/c1-2-7-3-5-8(6-4-7)9(11,12)10(13,14)15/h2-6H,1H2
InChIKeyMFVDUIHKJSUENA-UHFFFAOYSA-N
XLogP3.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.16
LogP ≤ 53.98
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-4-(1,1,2,2,2-pentafluoroethyl)benzene?
The IUPAC name of 1-ethenyl-4-(1,1,2,2,2-pentafluoroethyl)benzene (CID 18928984) is 1-ethenyl-4-(1,1,2,2,2-pentafluoroethyl)benzene.
What is the SMILES notation for 1-ethenyl-4-(1,1,2,2,2-pentafluoroethyl)benzene?
The canonical SMILES for 1-ethenyl-4-(1,1,2,2,2-pentafluoroethyl)benzene is C=Cc1ccc(C(F)(F)C(F)(F)F)cc1.
What is the InChIKey of 1-ethenyl-4-(1,1,2,2,2-pentafluoroethyl)benzene?
The InChIKey is MFVDUIHKJSUENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F5/c1-2-7-3-5-8(6-4-7)9(11,12)10(13,14)15/h2-6H,1H2.
What are the key properties of 1-ethenyl-4-(1,1,2,2,2-pentafluoroethyl)benzene?
1-ethenyl-4-(1,1,2,2,2-pentafluoroethyl)benzene has a molecular weight of 222.16 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-(1,1,2,2,2-pentafluoroethyl)benzene is sourced from PubChem (CID 18928984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).