1-(dimethoxymethyl)-2-fluorobenzene

C9H11FO2 — CID 11426732

IUPAC1-(dimethoxymethyl)-2-fluorobenzene
SMILESCOC(OC)c1ccccc1F
InChIInChI=1S/C9H11FO2/c1-11-9(12-2)7-5-3-4-6-8(7)10/h3-6,9H,1-2H3
InChIKeyGHRDHBIBFZLUJM-UHFFFAOYSA-N
MW170.18 g/mol
LogP2.12
Rot. Bonds3

About 1-(dimethoxymethyl)-2-fluorobenzene

1-(dimethoxymethyl)-2-fluorobenzene (PubChem CID 11426732) has the molecular formula C9H11FO2 and a molecular weight of 170.18 g/mol. Its IUPAC name is 1-(dimethoxymethyl)-2-fluorobenzene.

Molecular Properties

Compound Name1-(dimethoxymethyl)-2-fluorobenzene
PubChem CID11426732
Molecular FormulaC9H11FO2
Molecular Weight170.18 g/mol
Exact Mass170.07
IUPAC Name1-(dimethoxymethyl)-2-fluorobenzene
SMILESCOC(OC)c1ccccc1F
InChIInChI=1S/C9H11FO2/c1-11-9(12-2)7-5-3-4-6-8(7)10/h3-6,9H,1-2H3
InChIKeyGHRDHBIBFZLUJM-UHFFFAOYSA-N
XLogP2.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.18
LogP ≤ 52.12
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-(dimethoxymethyl)-2-fluorobenzene?
The IUPAC name of 1-(dimethoxymethyl)-2-fluorobenzene (CID 11426732) is 1-(dimethoxymethyl)-2-fluorobenzene.
What is the SMILES notation for 1-(dimethoxymethyl)-2-fluorobenzene?
The canonical SMILES for 1-(dimethoxymethyl)-2-fluorobenzene is COC(OC)c1ccccc1F.
What is the InChIKey of 1-(dimethoxymethyl)-2-fluorobenzene?
The InChIKey is GHRDHBIBFZLUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FO2/c1-11-9(12-2)7-5-3-4-6-8(7)10/h3-6,9H,1-2H3.
What are the key properties of 1-(dimethoxymethyl)-2-fluorobenzene?
1-(dimethoxymethyl)-2-fluorobenzene has a molecular weight of 170.18 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethoxymethyl)-2-fluorobenzene is sourced from PubChem (CID 11426732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).