1-fluoro-2-(methoxymethoxymethyl)benzene

C9H11FO2 — CID 10920940

IUPAC1-fluoro-2-(methoxymethoxymethyl)benzene
SMILESCOCOCc1ccccc1F
InChIInChI=1S/C9H11FO2/c1-11-7-12-6-8-4-2-3-5-9(8)10/h2-5H,6-7H2,1H3
InChIKeyZCMADFXKYYLJLC-UHFFFAOYSA-N
MW170.18 g/mol
LogP1.95
Rot. Bonds4

About 1-fluoro-2-(methoxymethoxymethyl)benzene

1-fluoro-2-(methoxymethoxymethyl)benzene (PubChem CID 10920940) has the molecular formula C9H11FO2 and a molecular weight of 170.18 g/mol. Its IUPAC name is 1-fluoro-2-(methoxymethoxymethyl)benzene.

Molecular Properties

Compound Name1-fluoro-2-(methoxymethoxymethyl)benzene
PubChem CID10920940
Molecular FormulaC9H11FO2
Molecular Weight170.18 g/mol
Exact Mass170.07
IUPAC Name1-fluoro-2-(methoxymethoxymethyl)benzene
SMILESCOCOCc1ccccc1F
InChIInChI=1S/C9H11FO2/c1-11-7-12-6-8-4-2-3-5-9(8)10/h2-5H,6-7H2,1H3
InChIKeyZCMADFXKYYLJLC-UHFFFAOYSA-N
XLogP1.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.18
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-fluoro-2-[(2-fluorophenyl)methoxymethyl]benzene
CID 67509440
1-fluoro-2-[(2-fluorophenyl)methoxymethyl]benzene;N-propan-2-ylidenehydroxylamine
CID 174820593
1-fluoro-2-[(4-methoxyphenyl)methoxymethyl]benzene
CID 145304623
1-fluoro-2-(3-methylbutoxymethyl)benzene
CID 91704397
1-fluoro-2-(2-methylbutoxymethyl)benzene
CID 91704394
3-[(2-fluorophenyl)methoxy]-2,2-dimethylpropan-1-amine
CID 79627948
3-[(2-fluorophenyl)methoxymethyl]pyridin-2-amine
CID 63935753
3-[(2-fluorophenyl)methoxy]propan-1-ol
CID 23325115
5-[(2-fluorophenyl)methoxy]-N-propylpentan-1-amine
CID 63937972
2-[(2-fluorophenyl)methoxy]-1-(4-methoxyphenyl)ethanamine
CID 63932424
1-[2-(bromomethyl)butoxymethyl]-2-fluorobenzene
CID 65000075
1-bromo-4-fluoro-2-(methoxymethoxymethyl)benzene
CID 11845573

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-(methoxymethoxymethyl)benzene?
The IUPAC name of 1-fluoro-2-(methoxymethoxymethyl)benzene (CID 10920940) is 1-fluoro-2-(methoxymethoxymethyl)benzene.
What is the SMILES notation for 1-fluoro-2-(methoxymethoxymethyl)benzene?
The canonical SMILES for 1-fluoro-2-(methoxymethoxymethyl)benzene is COCOCc1ccccc1F.
What is the InChIKey of 1-fluoro-2-(methoxymethoxymethyl)benzene?
The InChIKey is ZCMADFXKYYLJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FO2/c1-11-7-12-6-8-4-2-3-5-9(8)10/h2-5H,6-7H2,1H3.
What are the key properties of 1-fluoro-2-(methoxymethoxymethyl)benzene?
1-fluoro-2-(methoxymethoxymethyl)benzene has a molecular weight of 170.18 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-(methoxymethoxymethyl)benzene is sourced from PubChem (CID 10920940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).