1-(difluoromethoxymethyl)-4-methylbenzene

C9H10F2O — CID 162716622

IUPAC1-(difluoromethoxymethyl)-4-methylbenzene
SMILESCc1ccc(COC(F)F)cc1
InChIInChI=1S/C9H10F2O/c1-7-2-4-8(5-3-7)6-12-9(10)11/h2-5,9H,6H2,1H3
InChIKeyFDPVWFUDTZEYJE-UHFFFAOYSA-N
MW172.17 g/mol
LogP2.73
Rot. Bonds3

About 1-(difluoromethoxymethyl)-4-methylbenzene

1-(difluoromethoxymethyl)-4-methylbenzene (PubChem CID 162716622) has the molecular formula C9H10F2O and a molecular weight of 172.17 g/mol. Its IUPAC name is 1-(difluoromethoxymethyl)-4-methylbenzene.

Molecular Properties

Compound Name1-(difluoromethoxymethyl)-4-methylbenzene
PubChem CID162716622
Molecular FormulaC9H10F2O
Molecular Weight172.17 g/mol
Exact Mass172.07
IUPAC Name1-(difluoromethoxymethyl)-4-methylbenzene
SMILESCc1ccc(COC(F)F)cc1
InChIInChI=1S/C9H10F2O/c1-7-2-4-8(5-3-7)6-12-9(10)11/h2-5,9H,6H2,1H3
InChIKeyFDPVWFUDTZEYJE-UHFFFAOYSA-N
XLogP2.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.17
LogP ≤ 52.73
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?
The IUPAC name of 1-(difluoromethoxymethyl)-4-methylbenzene (CID 162716622) is 1-(difluoromethoxymethyl)-4-methylbenzene.
What is the SMILES notation for 1-(difluoromethoxymethyl)-4-methylbenzene?
The canonical SMILES for 1-(difluoromethoxymethyl)-4-methylbenzene is Cc1ccc(COC(F)F)cc1.
What is the InChIKey of 1-(difluoromethoxymethyl)-4-methylbenzene?
The InChIKey is FDPVWFUDTZEYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2O/c1-7-2-4-8(5-3-7)6-12-9(10)11/h2-5,9H,6H2,1H3.
What are the key properties of 1-(difluoromethoxymethyl)-4-methylbenzene?
1-(difluoromethoxymethyl)-4-methylbenzene has a molecular weight of 172.17 g/mol, XLogP of 2.73, 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 is sourced from PubChem (CID 162716622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).