1-bromo-3-(chloromethyl)-2-(2-fluoroethoxy)benzene

C9H9BrClFO — CID 80694612

IUPAC1-bromo-3-(chloromethyl)-2-(2-fluoroethoxy)benzene
SMILESFCCOc1c(Br)cccc1CCl
InChIInChI=1S/C9H9BrClFO/c10-8-3-1-2-7(6-11)9(8)13-5-4-12/h1-3H,4-6H2
InChIKeyIYXOSZILWYUUTM-UHFFFAOYSA-N
MW267.52 g/mol
LogP3.54
Rot. Bonds4

About 1-bromo-3-(chloromethyl)-2-(2-fluoroethoxy)benzene

1-bromo-3-(chloromethyl)-2-(2-fluoroethoxy)benzene (PubChem CID 80694612) has the molecular formula C9H9BrClFO and a molecular weight of 267.52 g/mol. Its IUPAC name is 1-bromo-3-(chloromethyl)-2-(2-fluoroethoxy)benzene.

Molecular Properties

Compound Name1-bromo-3-(chloromethyl)-2-(2-fluoroethoxy)benzene
PubChem CID80694612
Molecular FormulaC9H9BrClFO
Molecular Weight267.52 g/mol
Exact Mass265.95
IUPAC Name1-bromo-3-(chloromethyl)-2-(2-fluoroethoxy)benzene
SMILESFCCOc1c(Br)cccc1CCl
InChIInChI=1S/C9H9BrClFO/c10-8-3-1-2-7(6-11)9(8)13-5-4-12/h1-3H,4-6H2
InChIKeyIYXOSZILWYUUTM-UHFFFAOYSA-N
XLogP3.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.52
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(chloromethyl)-2-(2-fluoroethoxy)-3-methoxybenzene
CID 80695590
1-bromo-3-(chloromethyl)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene
CID 104564252
1-bromo-3-(chloromethyl)-2-[3-(2-methoxyethoxy)propoxy]benzene
CID 103410432
1-bromo-2-[(2-chloro-3-fluorophenyl)methoxy]-3-(chloromethyl)benzene
CID 112652534
1-bromo-3-(chloromethyl)-2-(2,2-difluoro-2-phenylethoxy)benzene
CID 116789802
1-bromo-3-[[2-bromo-6-(chloromethyl)phenoxy]methyl]-2,4-difluorobenzene
CID 106264501
1-bromo-3-(chloromethyl)-2-(phenylmethoxymethoxy)benzene
CID 102939932
5-[2-(aminomethyl)-6-bromophenoxy]pentan-1-ol
CID 62228230
N-[[3-bromo-2-(3-fluoropropoxy)phenyl]methyl]propan-2-amine
CID 81105855
2-bromo-5-[[2-bromo-6-(chloromethyl)phenoxy]methyl]thiophene
CID 63534198
[3-bromo-2-(2-methoxyethoxy)phenyl]methanamine
CID 61389790
[3-bromo-2-(3-methylbut-3-enoxy)phenyl]methanamine
CID 114471527

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(chloromethyl)-2-(2-fluoroethoxy)benzene?
The IUPAC name of 1-bromo-3-(chloromethyl)-2-(2-fluoroethoxy)benzene (CID 80694612) is 1-bromo-3-(chloromethyl)-2-(2-fluoroethoxy)benzene.
What is the SMILES notation for 1-bromo-3-(chloromethyl)-2-(2-fluoroethoxy)benzene?
The canonical SMILES for 1-bromo-3-(chloromethyl)-2-(2-fluoroethoxy)benzene is FCCOc1c(Br)cccc1CCl.
What is the InChIKey of 1-bromo-3-(chloromethyl)-2-(2-fluoroethoxy)benzene?
The InChIKey is IYXOSZILWYUUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrClFO/c10-8-3-1-2-7(6-11)9(8)13-5-4-12/h1-3H,4-6H2.
What are the key properties of 1-bromo-3-(chloromethyl)-2-(2-fluoroethoxy)benzene?
1-bromo-3-(chloromethyl)-2-(2-fluoroethoxy)benzene has a molecular weight of 267.52 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(chloromethyl)-2-(2-fluoroethoxy)benzene is sourced from PubChem (CID 80694612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).