1-ethenyl-3,5-difluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]benzene

C13H16F2O — CID 174481026

IUPAC1-ethenyl-3,5-difluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]benzene
SMILESC=Cc1cc(F)c(OC(C)(C)C)c(F)c1C
InChIInChI=1S/C13H16F2O/c1-6-9-7-10(14)12(11(15)8(9)2)16-13(3,4)5/h6-7H,1H2,2-5H3
InChIKeyZOLJPTPYKFJJFJ-UHFFFAOYSA-N
MW226.27 g/mol
LogP4.09
Rot. Bonds2

About 1-ethenyl-3,5-difluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]benzene

1-ethenyl-3,5-difluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]benzene (PubChem CID 174481026) has the molecular formula C13H16F2O and a molecular weight of 226.27 g/mol. Its IUPAC name is 1-ethenyl-3,5-difluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]benzene.

Molecular Properties

Compound Name1-ethenyl-3,5-difluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]benzene
PubChem CID174481026
Molecular FormulaC13H16F2O
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name1-ethenyl-3,5-difluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]benzene
SMILESC=Cc1cc(F)c(OC(C)(C)C)c(F)c1C
InChIInChI=1S/C13H16F2O/c1-6-9-7-10(14)12(11(15)8(9)2)16-13(3,4)5/h6-7H,1H2,2-5H3
InChIKeyZOLJPTPYKFJJFJ-UHFFFAOYSA-N
XLogP4.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3,5-difluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]benzene?
The IUPAC name of 1-ethenyl-3,5-difluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]benzene (CID 174481026) is 1-ethenyl-3,5-difluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]benzene.
What is the SMILES notation for 1-ethenyl-3,5-difluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]benzene?
The canonical SMILES for 1-ethenyl-3,5-difluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]benzene is C=Cc1cc(F)c(OC(C)(C)C)c(F)c1C.
What is the InChIKey of 1-ethenyl-3,5-difluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]benzene?
The InChIKey is ZOLJPTPYKFJJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2O/c1-6-9-7-10(14)12(11(15)8(9)2)16-13(3,4)5/h6-7H,1H2,2-5H3.
What are the key properties of 1-ethenyl-3,5-difluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]benzene?
1-ethenyl-3,5-difluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]benzene has a molecular weight of 226.27 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3,5-difluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]benzene is sourced from PubChem (CID 174481026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).