1,4-difluoro-2-(methoxymethoxy)-5-methylbenzene

C9H10F2O2 — CID 58719002

IUPAC1,4-difluoro-2-(methoxymethoxy)-5-methylbenzene
SMILESCOCOc1cc(F)c(C)cc1F
InChIInChI=1S/C9H10F2O2/c1-6-3-8(11)9(4-7(6)10)13-5-12-2/h3-4H,5H2,1-2H3
InChIKeyLTDJCXCWKWYTAD-UHFFFAOYSA-N
MW188.17 g/mol
LogP2.26
Rot. Bonds3

About 1,4-difluoro-2-(methoxymethoxy)-5-methylbenzene

1,4-difluoro-2-(methoxymethoxy)-5-methylbenzene (PubChem CID 58719002) has the molecular formula C9H10F2O2 and a molecular weight of 188.17 g/mol. Its IUPAC name is 1,4-difluoro-2-(methoxymethoxy)-5-methylbenzene.

Molecular Properties

Compound Name1,4-difluoro-2-(methoxymethoxy)-5-methylbenzene
PubChem CID58719002
Molecular FormulaC9H10F2O2
Molecular Weight188.17 g/mol
Exact Mass188.06
IUPAC Name1,4-difluoro-2-(methoxymethoxy)-5-methylbenzene
SMILESCOCOc1cc(F)c(C)cc1F
InChIInChI=1S/C9H10F2O2/c1-6-3-8(11)9(4-7(6)10)13-5-12-2/h3-4H,5H2,1-2H3
InChIKeyLTDJCXCWKWYTAD-UHFFFAOYSA-N
XLogP2.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.17
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,4-difluoro-2-(methoxymethoxy)-5-methylbenzene?
The IUPAC name of 1,4-difluoro-2-(methoxymethoxy)-5-methylbenzene (CID 58719002) is 1,4-difluoro-2-(methoxymethoxy)-5-methylbenzene.
What is the SMILES notation for 1,4-difluoro-2-(methoxymethoxy)-5-methylbenzene?
The canonical SMILES for 1,4-difluoro-2-(methoxymethoxy)-5-methylbenzene is COCOc1cc(F)c(C)cc1F.
What is the InChIKey of 1,4-difluoro-2-(methoxymethoxy)-5-methylbenzene?
The InChIKey is LTDJCXCWKWYTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2O2/c1-6-3-8(11)9(4-7(6)10)13-5-12-2/h3-4H,5H2,1-2H3.
What are the key properties of 1,4-difluoro-2-(methoxymethoxy)-5-methylbenzene?
1,4-difluoro-2-(methoxymethoxy)-5-methylbenzene has a molecular weight of 188.17 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-difluoro-2-(methoxymethoxy)-5-methylbenzene is sourced from PubChem (CID 58719002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).