1-bromo-4-fluoro-2-(methoxymethoxymethyl)benzene

C9H10BrFO2 — CID 11845573

IUPAC1-bromo-4-fluoro-2-(methoxymethoxymethyl)benzene
SMILESCOCOCc1cc(F)ccc1Br
InChIInChI=1S/C9H10BrFO2/c1-12-6-13-5-7-4-8(11)2-3-9(7)10/h2-4H,5-6H2,1H3
InChIKeyDWRMHMOLSZZYDZ-UHFFFAOYSA-N
MW249.08 g/mol
LogP2.71
Rot. Bonds4

About 1-bromo-4-fluoro-2-(methoxymethoxymethyl)benzene

1-bromo-4-fluoro-2-(methoxymethoxymethyl)benzene (PubChem CID 11845573) has the molecular formula C9H10BrFO2 and a molecular weight of 249.08 g/mol. Its IUPAC name is 1-bromo-4-fluoro-2-(methoxymethoxymethyl)benzene.

Molecular Properties

Compound Name1-bromo-4-fluoro-2-(methoxymethoxymethyl)benzene
PubChem CID11845573
Molecular FormulaC9H10BrFO2
Molecular Weight249.08 g/mol
Exact Mass247.98
IUPAC Name1-bromo-4-fluoro-2-(methoxymethoxymethyl)benzene
SMILESCOCOCc1cc(F)ccc1Br
InChIInChI=1S/C9H10BrFO2/c1-12-6-13-5-7-4-8(11)2-3-9(7)10/h2-4H,5-6H2,1H3
InChIKeyDWRMHMOLSZZYDZ-UHFFFAOYSA-N
XLogP2.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.08
LogP ≤ 52.71
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

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2-bromo-4-fluoro-1-[2-(2-methoxyethoxy)ethoxymethyl]benzene
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(2-bromo-5-fluorophenyl)methyl carbamate
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1-(2-bromo-5-fluorophenyl)-3-methoxypropan-2-ol
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CID 60924648
O-[2-(2-bromo-5-fluorophenyl)ethyl]hydroxylamine
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1-bromo-4-methoxy-2-(2-methoxyethoxymethoxymethyl)benzene
CID 102273411
(2S)-2-[(2-bromo-5-fluorophenyl)methoxy]propanoic acid
CID 104875993
1-fluoro-2-(methoxymethoxymethyl)benzene
CID 10920940
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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-fluoro-2-(methoxymethoxymethyl)benzene?
The IUPAC name of 1-bromo-4-fluoro-2-(methoxymethoxymethyl)benzene (CID 11845573) is 1-bromo-4-fluoro-2-(methoxymethoxymethyl)benzene.
What is the SMILES notation for 1-bromo-4-fluoro-2-(methoxymethoxymethyl)benzene?
The canonical SMILES for 1-bromo-4-fluoro-2-(methoxymethoxymethyl)benzene is COCOCc1cc(F)ccc1Br.
What is the InChIKey of 1-bromo-4-fluoro-2-(methoxymethoxymethyl)benzene?
The InChIKey is DWRMHMOLSZZYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrFO2/c1-12-6-13-5-7-4-8(11)2-3-9(7)10/h2-4H,5-6H2,1H3.
What are the key properties of 1-bromo-4-fluoro-2-(methoxymethoxymethyl)benzene?
1-bromo-4-fluoro-2-(methoxymethoxymethyl)benzene has a molecular weight of 249.08 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-fluoro-2-(methoxymethoxymethyl)benzene is sourced from PubChem (CID 11845573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).