1-ethenyl-3-propan-2-yloxy-5-(1,2,2-trifluoroethenyl)benzene

C13H13F3O — CID 135003876

IUPAC1-ethenyl-3-propan-2-yloxy-5-(1,2,2-trifluoroethenyl)benzene
SMILESC=Cc1cc(OC(C)C)cc(C(F)=C(F)F)c1
InChIInChI=1S/C13H13F3O/c1-4-9-5-10(12(14)13(15)16)7-11(6-9)17-8(2)3/h4-8H,1H2,2-3H3
InChIKeyUGPMIXUXAWPQJY-UHFFFAOYSA-N
MW242.24 g/mol
LogP4.65
Rot. Bonds4

About 1-ethenyl-3-propan-2-yloxy-5-(1,2,2-trifluoroethenyl)benzene

1-ethenyl-3-propan-2-yloxy-5-(1,2,2-trifluoroethenyl)benzene (PubChem CID 135003876) has the molecular formula C13H13F3O and a molecular weight of 242.24 g/mol. Its IUPAC name is 1-ethenyl-3-propan-2-yloxy-5-(1,2,2-trifluoroethenyl)benzene.

Molecular Properties

Compound Name1-ethenyl-3-propan-2-yloxy-5-(1,2,2-trifluoroethenyl)benzene
PubChem CID135003876
Molecular FormulaC13H13F3O
Molecular Weight242.24 g/mol
Exact Mass242.09
IUPAC Name1-ethenyl-3-propan-2-yloxy-5-(1,2,2-trifluoroethenyl)benzene
SMILESC=Cc1cc(OC(C)C)cc(C(F)=C(F)F)c1
InChIInChI=1S/C13H13F3O/c1-4-9-5-10(12(14)13(15)16)7-11(6-9)17-8(2)3/h4-8H,1H2,2-3H3
InChIKeyUGPMIXUXAWPQJY-UHFFFAOYSA-N
XLogP4.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3-propan-2-yloxy-5-(1,2,2-trifluoroethenyl)benzene?
The IUPAC name of 1-ethenyl-3-propan-2-yloxy-5-(1,2,2-trifluoroethenyl)benzene (CID 135003876) is 1-ethenyl-3-propan-2-yloxy-5-(1,2,2-trifluoroethenyl)benzene.
What is the SMILES notation for 1-ethenyl-3-propan-2-yloxy-5-(1,2,2-trifluoroethenyl)benzene?
The canonical SMILES for 1-ethenyl-3-propan-2-yloxy-5-(1,2,2-trifluoroethenyl)benzene is C=Cc1cc(OC(C)C)cc(C(F)=C(F)F)c1.
What is the InChIKey of 1-ethenyl-3-propan-2-yloxy-5-(1,2,2-trifluoroethenyl)benzene?
The InChIKey is UGPMIXUXAWPQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3O/c1-4-9-5-10(12(14)13(15)16)7-11(6-9)17-8(2)3/h4-8H,1H2,2-3H3.
What are the key properties of 1-ethenyl-3-propan-2-yloxy-5-(1,2,2-trifluoroethenyl)benzene?
1-ethenyl-3-propan-2-yloxy-5-(1,2,2-trifluoroethenyl)benzene has a molecular weight of 242.24 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-propan-2-yloxy-5-(1,2,2-trifluoroethenyl)benzene is sourced from PubChem (CID 135003876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).