difluoromethoxymethylbenzene

C8H8F2O — CID 13350618

IUPACdifluoromethoxymethylbenzene
SMILESFC(F)OCc1ccccc1
InChIInChI=1S/C8H8F2O/c9-8(10)11-6-7-4-2-1-3-5-7/h1-5,8H,6H2
InChIKeyJJRJQOWUEXZWKU-UHFFFAOYSA-N
MW158.15 g/mol
LogP2.43
Rot. Bonds3

About difluoromethoxymethylbenzene

difluoromethoxymethylbenzene (PubChem CID 13350618) has the molecular formula C8H8F2O and a molecular weight of 158.15 g/mol. Its IUPAC name is difluoromethoxymethylbenzene.

Molecular Properties

Compound Namedifluoromethoxymethylbenzene
PubChem CID13350618
Molecular FormulaC8H8F2O
Molecular Weight158.15 g/mol
Exact Mass158.05
IUPAC Namedifluoromethoxymethylbenzene
SMILESFC(F)OCc1ccccc1
InChIInChI=1S/C8H8F2O/c9-8(10)11-6-7-4-2-1-3-5-7/h1-5,8H,6H2
InChIKeyJJRJQOWUEXZWKU-UHFFFAOYSA-N
XLogP2.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of difluoromethoxymethylbenzene?
The IUPAC name of difluoromethoxymethylbenzene (CID 13350618) is difluoromethoxymethylbenzene.
What is the SMILES notation for difluoromethoxymethylbenzene?
The canonical SMILES for difluoromethoxymethylbenzene is FC(F)OCc1ccccc1.
What is the InChIKey of difluoromethoxymethylbenzene?
The InChIKey is JJRJQOWUEXZWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2O/c9-8(10)11-6-7-4-2-1-3-5-7/h1-5,8H,6H2.
What are the key properties of difluoromethoxymethylbenzene?
difluoromethoxymethylbenzene has a molecular weight of 158.15 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for difluoromethoxymethylbenzene is sourced from PubChem (CID 13350618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).