1-ethenyl-3-(2,2,2-trifluoroethoxymethyl)benzene

C11H11F3O — CID 86122980

IUPAC1-ethenyl-3-(2,2,2-trifluoroethoxymethyl)benzene
SMILESC=Cc1cccc(COCC(F)(F)F)c1
InChIInChI=1S/C11H11F3O/c1-2-9-4-3-5-10(6-9)7-15-8-11(12,13)14/h2-6H,1,7-8H2
InChIKeyXBTOQUODZUJVKM-UHFFFAOYSA-N
MW216.20 g/mol
LogP3.41
Rot. Bonds4

About 1-ethenyl-3-(2,2,2-trifluoroethoxymethyl)benzene

1-ethenyl-3-(2,2,2-trifluoroethoxymethyl)benzene (PubChem CID 86122980) has the molecular formula C11H11F3O and a molecular weight of 216.20 g/mol. Its IUPAC name is 1-ethenyl-3-(2,2,2-trifluoroethoxymethyl)benzene.

Molecular Properties

Compound Name1-ethenyl-3-(2,2,2-trifluoroethoxymethyl)benzene
PubChem CID86122980
Molecular FormulaC11H11F3O
Molecular Weight216.20 g/mol
Exact Mass216.08
IUPAC Name1-ethenyl-3-(2,2,2-trifluoroethoxymethyl)benzene
SMILESC=Cc1cccc(COCC(F)(F)F)c1
InChIInChI=1S/C11H11F3O/c1-2-9-4-3-5-10(6-9)7-15-8-11(12,13)14/h2-6H,1,7-8H2
InChIKeyXBTOQUODZUJVKM-UHFFFAOYSA-N
XLogP3.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
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-3-(2,2,2-trifluoroethoxymethyl)benzene?
The IUPAC name of 1-ethenyl-3-(2,2,2-trifluoroethoxymethyl)benzene (CID 86122980) is 1-ethenyl-3-(2,2,2-trifluoroethoxymethyl)benzene.
What is the SMILES notation for 1-ethenyl-3-(2,2,2-trifluoroethoxymethyl)benzene?
The canonical SMILES for 1-ethenyl-3-(2,2,2-trifluoroethoxymethyl)benzene is C=Cc1cccc(COCC(F)(F)F)c1.
What is the InChIKey of 1-ethenyl-3-(2,2,2-trifluoroethoxymethyl)benzene?
The InChIKey is XBTOQUODZUJVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O/c1-2-9-4-3-5-10(6-9)7-15-8-11(12,13)14/h2-6H,1,7-8H2.
What are the key properties of 1-ethenyl-3-(2,2,2-trifluoroethoxymethyl)benzene?
1-ethenyl-3-(2,2,2-trifluoroethoxymethyl)benzene has a molecular weight of 216.20 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-(2,2,2-trifluoroethoxymethyl)benzene is sourced from PubChem (CID 86122980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).