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

C10H12BrFO2 — CID 21196021

IUPAC4-bromo-1-fluoro-2-(2-methoxyethoxymethyl)benzene
SMILESCOCCOCc1cc(Br)ccc1F
InChIInChI=1S/C10H12BrFO2/c1-13-4-5-14-7-8-6-9(11)2-3-10(8)12/h2-3,6H,4-5,7H2,1H3
InChIKeyBQDWCKDKEQOOQT-UHFFFAOYSA-N
MW263.11 g/mol
LogP2.75
Rot. Bonds5

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

4-bromo-1-fluoro-2-(2-methoxyethoxymethyl)benzene (PubChem CID 21196021) has the molecular formula C10H12BrFO2 and a molecular weight of 263.11 g/mol. Its IUPAC name is 4-bromo-1-fluoro-2-(2-methoxyethoxymethyl)benzene.

Molecular Properties

Compound Name4-bromo-1-fluoro-2-(2-methoxyethoxymethyl)benzene
PubChem CID21196021
Molecular FormulaC10H12BrFO2
Molecular Weight263.11 g/mol
Exact Mass262.00
IUPAC Name4-bromo-1-fluoro-2-(2-methoxyethoxymethyl)benzene
SMILESCOCCOCc1cc(Br)ccc1F
InChIInChI=1S/C10H12BrFO2/c1-13-4-5-14-7-8-6-9(11)2-3-10(8)12/h2-3,6H,4-5,7H2,1H3
InChIKeyBQDWCKDKEQOOQT-UHFFFAOYSA-N
XLogP2.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.11
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-fluoro-2-(2-methoxyethoxymethyl)benzene?
The IUPAC name of 4-bromo-1-fluoro-2-(2-methoxyethoxymethyl)benzene (CID 21196021) is 4-bromo-1-fluoro-2-(2-methoxyethoxymethyl)benzene.
What is the SMILES notation for 4-bromo-1-fluoro-2-(2-methoxyethoxymethyl)benzene?
The canonical SMILES for 4-bromo-1-fluoro-2-(2-methoxyethoxymethyl)benzene is COCCOCc1cc(Br)ccc1F.
What is the InChIKey of 4-bromo-1-fluoro-2-(2-methoxyethoxymethyl)benzene?
The InChIKey is BQDWCKDKEQOOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFO2/c1-13-4-5-14-7-8-6-9(11)2-3-10(8)12/h2-3,6H,4-5,7H2,1H3.
What are the key properties of 4-bromo-1-fluoro-2-(2-methoxyethoxymethyl)benzene?
4-bromo-1-fluoro-2-(2-methoxyethoxymethyl)benzene has a molecular weight of 263.11 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-fluoro-2-(2-methoxyethoxymethyl)benzene is sourced from PubChem (CID 21196021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).