1-(difluoromethoxymethyl)-4-methylbenzene;ethane

C11H16F2O — CID 178015082

IUPAC1-(difluoromethoxymethyl)-4-methylbenzene;ethane
SMILESCC.Cc1ccc(COC(F)F)cc1
InChIInChI=1S/C9H10F2O.C2H6/c1-7-2-4-8(5-3-7)6-12-9(10)11;1-2/h2-5,9H,6H2,1H3;1-2H3
InChIKeyLTVIWQJGABNMEN-UHFFFAOYSA-N
MW202.24 g/mol
LogP3.76
Rot. Bonds3

About 1-(difluoromethoxymethyl)-4-methylbenzene;ethane

1-(difluoromethoxymethyl)-4-methylbenzene;ethane (PubChem CID 178015082) has the molecular formula C11H16F2O and a molecular weight of 202.24 g/mol. Its IUPAC name is 1-(difluoromethoxymethyl)-4-methylbenzene;ethane.

Molecular Properties

Compound Name1-(difluoromethoxymethyl)-4-methylbenzene;ethane
PubChem CID178015082
Molecular FormulaC11H16F2O
Molecular Weight202.24 g/mol
Exact Mass202.12
IUPAC Name1-(difluoromethoxymethyl)-4-methylbenzene;ethane
SMILESCC.Cc1ccc(COC(F)F)cc1
InChIInChI=1S/C9H10F2O.C2H6/c1-7-2-4-8(5-3-7)6-12-9(10)11;1-2/h2-5,9H,6H2,1H3;1-2H3
InChIKeyLTVIWQJGABNMEN-UHFFFAOYSA-N
XLogP3.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.24
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxymethyl)-4-methylbenzene;ethane?
The IUPAC name of 1-(difluoromethoxymethyl)-4-methylbenzene;ethane (CID 178015082) is 1-(difluoromethoxymethyl)-4-methylbenzene;ethane.
What is the SMILES notation for 1-(difluoromethoxymethyl)-4-methylbenzene;ethane?
The canonical SMILES for 1-(difluoromethoxymethyl)-4-methylbenzene;ethane is CC.Cc1ccc(COC(F)F)cc1.
What is the InChIKey of 1-(difluoromethoxymethyl)-4-methylbenzene;ethane?
The InChIKey is LTVIWQJGABNMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2O.C2H6/c1-7-2-4-8(5-3-7)6-12-9(10)11;1-2/h2-5,9H,6H2,1H3;1-2H3.
What are the key properties of 1-(difluoromethoxymethyl)-4-methylbenzene;ethane?
1-(difluoromethoxymethyl)-4-methylbenzene;ethane has a molecular weight of 202.24 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxymethyl)-4-methylbenzene;ethane is sourced from PubChem (CID 178015082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).