2-fluoro-4-(methoxymethoxy)-1-methylbenzene

C9H11FO2 — CID 54289403

IUPAC2-fluoro-4-(methoxymethoxy)-1-methylbenzene
SMILESCOCOc1ccc(C)c(F)c1
InChIInChI=1S/C9H11FO2/c1-7-3-4-8(5-9(7)10)12-6-11-2/h3-5H,6H2,1-2H3
InChIKeyRWLCWJRJYHGZIU-UHFFFAOYSA-N
MW170.18 g/mol
LogP2.12
Rot. Bonds3

About 2-fluoro-4-(methoxymethoxy)-1-methylbenzene

2-fluoro-4-(methoxymethoxy)-1-methylbenzene (PubChem CID 54289403) has the molecular formula C9H11FO2 and a molecular weight of 170.18 g/mol. Its IUPAC name is 2-fluoro-4-(methoxymethoxy)-1-methylbenzene.

Molecular Properties

Compound Name2-fluoro-4-(methoxymethoxy)-1-methylbenzene
PubChem CID54289403
Molecular FormulaC9H11FO2
Molecular Weight170.18 g/mol
Exact Mass170.07
IUPAC Name2-fluoro-4-(methoxymethoxy)-1-methylbenzene
SMILESCOCOc1ccc(C)c(F)c1
InChIInChI=1S/C9H11FO2/c1-7-3-4-8(5-9(7)10)12-6-11-2/h3-5H,6H2,1-2H3
InChIKeyRWLCWJRJYHGZIU-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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Related Compounds

2-fluoro-4-(2-methoxyethoxy)-1-methylbenzene
CID 21363868
2-fluoro-4-(4-methoxybutoxy)-1-methylbenzene
CID 107171353
2-fluoro-4-(fluoromethoxy)-1-methylbenzene;fluoromethane
CID 91055854
2,3-difluoro-1-[(3-fluoro-4-methylphenoxy)methyl]-4-methylbenzene
CID 163577321
1-tert-butyl-2-fluoro-4-(methoxymethoxy)benzene
CID 146377288
2-fluoro-4-[2-(3-methoxypropoxy)ethoxy]-1-methylbenzene
CID 107171281
3-(3-fluoro-4-methylphenoxy)propan-1-ol
CID 107170036
2-bromo-1-fluoro-4-(methoxymethoxy)benzene
CID 83236358
2-fluoro-4-hexoxy-1-methylbenzene
CID 58718900
(1R)-1-[2-fluoro-4-(methoxymethoxy)phenyl]ethanol
CID 107720039
1-[2-fluoro-4-(methoxymethoxy)phenyl]ethanone
CID 22363866
1,4-bis(methoxymethoxy)benzene
CID 542643

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(methoxymethoxy)-1-methylbenzene?
The IUPAC name of 2-fluoro-4-(methoxymethoxy)-1-methylbenzene (CID 54289403) is 2-fluoro-4-(methoxymethoxy)-1-methylbenzene.
What is the SMILES notation for 2-fluoro-4-(methoxymethoxy)-1-methylbenzene?
The canonical SMILES for 2-fluoro-4-(methoxymethoxy)-1-methylbenzene is COCOc1ccc(C)c(F)c1.
What is the InChIKey of 2-fluoro-4-(methoxymethoxy)-1-methylbenzene?
The InChIKey is RWLCWJRJYHGZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FO2/c1-7-3-4-8(5-9(7)10)12-6-11-2/h3-5H,6H2,1-2H3.
What are the key properties of 2-fluoro-4-(methoxymethoxy)-1-methylbenzene?
2-fluoro-4-(methoxymethoxy)-1-methylbenzene 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 2-fluoro-4-(methoxymethoxy)-1-methylbenzene is sourced from PubChem (CID 54289403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).