1-(2-ethoxy-2,2-difluoroethyl)-4-methylbenzene

C11H14F2O — CID 122695355

IUPAC1-(2-ethoxy-2,2-difluoroethyl)-4-methylbenzene
SMILESCCOC(F)(F)Cc1ccc(C)cc1
InChIInChI=1S/C11H14F2O/c1-3-14-11(12,13)8-10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3
InChIKeyQGABWYWBWSPIGB-UHFFFAOYSA-N
MW200.23 g/mol
LogP3.17
Rot. Bonds4

About 1-(2-ethoxy-2,2-difluoroethyl)-4-methylbenzene

1-(2-ethoxy-2,2-difluoroethyl)-4-methylbenzene (PubChem CID 122695355) has the molecular formula C11H14F2O and a molecular weight of 200.23 g/mol. Its IUPAC name is 1-(2-ethoxy-2,2-difluoroethyl)-4-methylbenzene.

Molecular Properties

Compound Name1-(2-ethoxy-2,2-difluoroethyl)-4-methylbenzene
PubChem CID122695355
Molecular FormulaC11H14F2O
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name1-(2-ethoxy-2,2-difluoroethyl)-4-methylbenzene
SMILESCCOC(F)(F)Cc1ccc(C)cc1
InChIInChI=1S/C11H14F2O/c1-3-14-11(12,13)8-10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3
InChIKeyQGABWYWBWSPIGB-UHFFFAOYSA-N
XLogP3.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-2,2-difluoroethyl)-4-methylbenzene?
The IUPAC name of 1-(2-ethoxy-2,2-difluoroethyl)-4-methylbenzene (CID 122695355) is 1-(2-ethoxy-2,2-difluoroethyl)-4-methylbenzene.
What is the SMILES notation for 1-(2-ethoxy-2,2-difluoroethyl)-4-methylbenzene?
The canonical SMILES for 1-(2-ethoxy-2,2-difluoroethyl)-4-methylbenzene is CCOC(F)(F)Cc1ccc(C)cc1.
What is the InChIKey of 1-(2-ethoxy-2,2-difluoroethyl)-4-methylbenzene?
The InChIKey is QGABWYWBWSPIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2O/c1-3-14-11(12,13)8-10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3.
What are the key properties of 1-(2-ethoxy-2,2-difluoroethyl)-4-methylbenzene?
1-(2-ethoxy-2,2-difluoroethyl)-4-methylbenzene has a molecular weight of 200.23 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-2,2-difluoroethyl)-4-methylbenzene is sourced from PubChem (CID 122695355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).