1-ethenyl-2-fluoro-4-(2,2,2-trifluoroethoxy)benzene

C10H8F4O — CID 175665868

IUPAC1-ethenyl-2-fluoro-4-(2,2,2-trifluoroethoxy)benzene
SMILESC=Cc1ccc(OCC(F)(F)F)cc1F
InChIInChI=1S/C10H8F4O/c1-2-7-3-4-8(5-9(7)11)15-6-10(12,13)14/h2-5H,1,6H2
InChIKeyZPLHRVCUTKEJLV-UHFFFAOYSA-N
MW220.16 g/mol
LogP3.41
Rot. Bonds3

About 1-ethenyl-2-fluoro-4-(2,2,2-trifluoroethoxy)benzene

1-ethenyl-2-fluoro-4-(2,2,2-trifluoroethoxy)benzene (PubChem CID 175665868) has the molecular formula C10H8F4O and a molecular weight of 220.16 g/mol. Its IUPAC name is 1-ethenyl-2-fluoro-4-(2,2,2-trifluoroethoxy)benzene.

Molecular Properties

Compound Name1-ethenyl-2-fluoro-4-(2,2,2-trifluoroethoxy)benzene
PubChem CID175665868
Molecular FormulaC10H8F4O
Molecular Weight220.16 g/mol
Exact Mass220.05
IUPAC Name1-ethenyl-2-fluoro-4-(2,2,2-trifluoroethoxy)benzene
SMILESC=Cc1ccc(OCC(F)(F)F)cc1F
InChIInChI=1S/C10H8F4O/c1-2-7-3-4-8(5-9(7)11)15-6-10(12,13)14/h2-5H,1,6H2
InChIKeyZPLHRVCUTKEJLV-UHFFFAOYSA-N
XLogP3.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.16
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2-fluoro-4-(2,2,2-trifluoroethoxy)benzene?
The IUPAC name of 1-ethenyl-2-fluoro-4-(2,2,2-trifluoroethoxy)benzene (CID 175665868) is 1-ethenyl-2-fluoro-4-(2,2,2-trifluoroethoxy)benzene.
What is the SMILES notation for 1-ethenyl-2-fluoro-4-(2,2,2-trifluoroethoxy)benzene?
The canonical SMILES for 1-ethenyl-2-fluoro-4-(2,2,2-trifluoroethoxy)benzene is C=Cc1ccc(OCC(F)(F)F)cc1F.
What is the InChIKey of 1-ethenyl-2-fluoro-4-(2,2,2-trifluoroethoxy)benzene?
The InChIKey is ZPLHRVCUTKEJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F4O/c1-2-7-3-4-8(5-9(7)11)15-6-10(12,13)14/h2-5H,1,6H2.
What are the key properties of 1-ethenyl-2-fluoro-4-(2,2,2-trifluoroethoxy)benzene?
1-ethenyl-2-fluoro-4-(2,2,2-trifluoroethoxy)benzene has a molecular weight of 220.16 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-fluoro-4-(2,2,2-trifluoroethoxy)benzene is sourced from PubChem (CID 175665868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).