2-[2-(4-bromophenoxy)ethoxy]-5-(chloromethyl)-1,3-difluorobenzene

C15H12BrClF2O2 — CID 79881325

IUPAC2-[2-(4-bromophenoxy)ethoxy]-5-(chloromethyl)-1,3-difluorobenzene
SMILESFc1cc(CCl)cc(F)c1OCCOc1ccc(Br)cc1
InChIInChI=1S/C15H12BrClF2O2/c16-11-1-3-12(4-2-11)20-5-6-21-15-13(18)7-10(9-17)8-14(15)19/h1-4,7-8H,5-6,9H2
InChIKeyMAVXTEZZUJSMRI-UHFFFAOYSA-N
MW377.61 g/mol
LogP4.92
Rot. Bonds6

About 2-[2-(4-bromophenoxy)ethoxy]-5-(chloromethyl)-1,3-difluorobenzene

2-[2-(4-bromophenoxy)ethoxy]-5-(chloromethyl)-1,3-difluorobenzene (PubChem CID 79881325) has the molecular formula C15H12BrClF2O2 and a molecular weight of 377.61 g/mol. Its IUPAC name is 2-[2-(4-bromophenoxy)ethoxy]-5-(chloromethyl)-1,3-difluorobenzene.

Molecular Properties

Compound Name2-[2-(4-bromophenoxy)ethoxy]-5-(chloromethyl)-1,3-difluorobenzene
PubChem CID79881325
Molecular FormulaC15H12BrClF2O2
Molecular Weight377.61 g/mol
Exact Mass375.97
IUPAC Name2-[2-(4-bromophenoxy)ethoxy]-5-(chloromethyl)-1,3-difluorobenzene
SMILESFc1cc(CCl)cc(F)c1OCCOc1ccc(Br)cc1
InChIInChI=1S/C15H12BrClF2O2/c16-11-1-3-12(4-2-11)20-5-6-21-15-13(18)7-10(9-17)8-14(15)19/h1-4,7-8H,5-6,9H2
InChIKeyMAVXTEZZUJSMRI-UHFFFAOYSA-N
XLogP4.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.61
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(chloromethyl)-1,3-difluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene
CID 104564276
[3,5-dibromo-4-[2-(4-bromophenoxy)ethoxy]phenyl]methanamine
CID 107741280
5-(bromomethyl)-2-[2-(3-bromophenoxy)ethoxy]-1,3-difluorobenzene
CID 79881360
5-(chloromethyl)-2-(4-chlorophenoxy)-1,3-difluorobenzene
CID 63566239
4-bromo-2-[[4-(chloromethyl)-2,6-difluorophenoxy]methyl]thiophene
CID 79888273
5-(chloromethyl)-1,3-difluoro-2-phenylmethoxybenzene
CID 79887883
5-(chloromethyl)-1,3-difluoro-2-[(4-fluorophenyl)methoxy]benzene
CID 79888109
5-(chloromethyl)-2-[(2,6-difluorophenyl)methoxy]-1,3-difluorobenzene
CID 114930615
2,4-dibromo-1-[3-(4-bromophenoxy)propoxy]benzene
CID 59330867
5-(chloromethyl)-1,3-difluoro-2-prop-2-ynoxybenzene
CID 57445703
2-[4-(chloromethyl)-2,6-difluorophenoxy]acetonitrile
CID 79888430
1,3-dibromo-2-[(5-bromo-2-fluorophenyl)methoxy]-5-(chloromethyl)benzene
CID 107745416

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromophenoxy)ethoxy]-5-(chloromethyl)-1,3-difluorobenzene?
The IUPAC name of 2-[2-(4-bromophenoxy)ethoxy]-5-(chloromethyl)-1,3-difluorobenzene (CID 79881325) is 2-[2-(4-bromophenoxy)ethoxy]-5-(chloromethyl)-1,3-difluorobenzene.
What is the SMILES notation for 2-[2-(4-bromophenoxy)ethoxy]-5-(chloromethyl)-1,3-difluorobenzene?
The canonical SMILES for 2-[2-(4-bromophenoxy)ethoxy]-5-(chloromethyl)-1,3-difluorobenzene is Fc1cc(CCl)cc(F)c1OCCOc1ccc(Br)cc1.
What is the InChIKey of 2-[2-(4-bromophenoxy)ethoxy]-5-(chloromethyl)-1,3-difluorobenzene?
The InChIKey is MAVXTEZZUJSMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClF2O2/c16-11-1-3-12(4-2-11)20-5-6-21-15-13(18)7-10(9-17)8-14(15)19/h1-4,7-8H,5-6,9H2.
What are the key properties of 2-[2-(4-bromophenoxy)ethoxy]-5-(chloromethyl)-1,3-difluorobenzene?
2-[2-(4-bromophenoxy)ethoxy]-5-(chloromethyl)-1,3-difluorobenzene has a molecular weight of 377.61 g/mol, XLogP of 4.92, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromophenoxy)ethoxy]-5-(chloromethyl)-1,3-difluorobenzene is sourced from PubChem (CID 79881325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).