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

C9H10BrFO — CID 129217831

IUPAC1-bromo-2-fluoro-4-(2-methoxyethyl)benzene
SMILESCOCCc1ccc(Br)c(F)c1
InChIInChI=1S/C9H10BrFO/c1-12-5-4-7-2-3-8(10)9(11)6-7/h2-3,6H,4-5H2,1H3
InChIKeyWICDYBVQSGKGCL-UHFFFAOYSA-N
MW233.08 g/mol
LogP2.78
Rot. Bonds3

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

1-bromo-2-fluoro-4-(2-methoxyethyl)benzene (PubChem CID 129217831) has the molecular formula C9H10BrFO and a molecular weight of 233.08 g/mol. Its IUPAC name is 1-bromo-2-fluoro-4-(2-methoxyethyl)benzene.

Molecular Properties

Compound Name1-bromo-2-fluoro-4-(2-methoxyethyl)benzene
PubChem CID129217831
Molecular FormulaC9H10BrFO
Molecular Weight233.08 g/mol
Exact Mass231.99
IUPAC Name1-bromo-2-fluoro-4-(2-methoxyethyl)benzene
SMILESCOCCc1ccc(Br)c(F)c1
InChIInChI=1S/C9H10BrFO/c1-12-5-4-7-2-3-8(10)9(11)6-7/h2-3,6H,4-5H2,1H3
InChIKeyWICDYBVQSGKGCL-UHFFFAOYSA-N
XLogP2.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.08
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-fluoro-4-(2-methoxyethyl)benzene?
The IUPAC name of 1-bromo-2-fluoro-4-(2-methoxyethyl)benzene (CID 129217831) is 1-bromo-2-fluoro-4-(2-methoxyethyl)benzene.
What is the SMILES notation for 1-bromo-2-fluoro-4-(2-methoxyethyl)benzene?
The canonical SMILES for 1-bromo-2-fluoro-4-(2-methoxyethyl)benzene is COCCc1ccc(Br)c(F)c1.
What is the InChIKey of 1-bromo-2-fluoro-4-(2-methoxyethyl)benzene?
The InChIKey is WICDYBVQSGKGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrFO/c1-12-5-4-7-2-3-8(10)9(11)6-7/h2-3,6H,4-5H2,1H3.
What are the key properties of 1-bromo-2-fluoro-4-(2-methoxyethyl)benzene?
1-bromo-2-fluoro-4-(2-methoxyethyl)benzene has a molecular weight of 233.08 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-fluoro-4-(2-methoxyethyl)benzene is sourced from PubChem (CID 129217831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).