2-fluoro-3-(methoxymethoxy)-1,4-dimethylbenzene

C10H13FO2 — CID 164891583

IUPAC2-fluoro-3-(methoxymethoxy)-1,4-dimethylbenzene
SMILESCOCOc1c(C)ccc(C)c1F
InChIInChI=1S/C10H13FO2/c1-7-4-5-8(2)10(9(7)11)13-6-12-3/h4-5H,6H2,1-3H3
InChIKeyKYSFRGZXTNUHMW-UHFFFAOYSA-N
MW184.21 g/mol
LogP2.43
Rot. Bonds3

About 2-fluoro-3-(methoxymethoxy)-1,4-dimethylbenzene

2-fluoro-3-(methoxymethoxy)-1,4-dimethylbenzene (PubChem CID 164891583) has the molecular formula C10H13FO2 and a molecular weight of 184.21 g/mol. Its IUPAC name is 2-fluoro-3-(methoxymethoxy)-1,4-dimethylbenzene.

Molecular Properties

Compound Name2-fluoro-3-(methoxymethoxy)-1,4-dimethylbenzene
PubChem CID164891583
Molecular FormulaC10H13FO2
Molecular Weight184.21 g/mol
Exact Mass184.09
IUPAC Name2-fluoro-3-(methoxymethoxy)-1,4-dimethylbenzene
SMILESCOCOc1c(C)ccc(C)c1F
InChIInChI=1S/C10H13FO2/c1-7-4-5-8(2)10(9(7)11)13-6-12-3/h4-5H,6H2,1-3H3
InChIKeyKYSFRGZXTNUHMW-UHFFFAOYSA-N
XLogP2.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 52.43
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 2-fluoro-3-(methoxymethoxy)-1,4-dimethylbenzene?
The IUPAC name of 2-fluoro-3-(methoxymethoxy)-1,4-dimethylbenzene (CID 164891583) is 2-fluoro-3-(methoxymethoxy)-1,4-dimethylbenzene.
What is the SMILES notation for 2-fluoro-3-(methoxymethoxy)-1,4-dimethylbenzene?
The canonical SMILES for 2-fluoro-3-(methoxymethoxy)-1,4-dimethylbenzene is COCOc1c(C)ccc(C)c1F.
What is the InChIKey of 2-fluoro-3-(methoxymethoxy)-1,4-dimethylbenzene?
The InChIKey is KYSFRGZXTNUHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO2/c1-7-4-5-8(2)10(9(7)11)13-6-12-3/h4-5H,6H2,1-3H3.
What are the key properties of 2-fluoro-3-(methoxymethoxy)-1,4-dimethylbenzene?
2-fluoro-3-(methoxymethoxy)-1,4-dimethylbenzene has a molecular weight of 184.21 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(methoxymethoxy)-1,4-dimethylbenzene is sourced from PubChem (CID 164891583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).