1-(3-bromo-2-methoxycyclobutyl)oxy-3-chloro-2-fluorobenzene

C11H11BrClFO2 — CID 116691082

IUPAC1-(3-bromo-2-methoxycyclobutyl)oxy-3-chloro-2-fluorobenzene
SMILESCOC1C(Br)CC1Oc1cccc(Cl)c1F
InChIInChI=1S/C11H11BrClFO2/c1-15-11-6(12)5-9(11)16-8-4-2-3-7(13)10(8)14/h2-4,6,9,11H,5H2,1H3
InChIKeyIAYOEJDNZGJGDX-UHFFFAOYSA-N
MW309.56 g/mol
LogP3.41
Rot. Bonds3

About 1-(3-bromo-2-methoxycyclobutyl)oxy-3-chloro-2-fluorobenzene

1-(3-bromo-2-methoxycyclobutyl)oxy-3-chloro-2-fluorobenzene (PubChem CID 116691082) has the molecular formula C11H11BrClFO2 and a molecular weight of 309.56 g/mol. Its IUPAC name is 1-(3-bromo-2-methoxycyclobutyl)oxy-3-chloro-2-fluorobenzene.

Molecular Properties

Compound Name1-(3-bromo-2-methoxycyclobutyl)oxy-3-chloro-2-fluorobenzene
PubChem CID116691082
Molecular FormulaC11H11BrClFO2
Molecular Weight309.56 g/mol
Exact Mass307.96
IUPAC Name1-(3-bromo-2-methoxycyclobutyl)oxy-3-chloro-2-fluorobenzene
SMILESCOC1C(Br)CC1Oc1cccc(Cl)c1F
InChIInChI=1S/C11H11BrClFO2/c1-15-11-6(12)5-9(11)16-8-4-2-3-7(13)10(8)14/h2-4,6,9,11H,5H2,1H3
InChIKeyIAYOEJDNZGJGDX-UHFFFAOYSA-N
XLogP3.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.56
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-bromo-2-methoxycyclobutyl)oxy-2,3-difluorobenzene
CID 104674085
1-(3-bromo-2-propoxycyclobutyl)oxy-3-chloro-2-fluorobenzene
CID 107943096
2-(3-bromo-2-methoxycyclobutyl)oxy-1,3-difluorobenzene
CID 104674156
1-(3-bromo-2-methoxycyclobutyl)oxy-2-phenylbenzene
CID 104673858
3-(3-chloro-2-fluorophenoxy)-N-methyl-2-propoxycyclobutan-1-amine
CID 107943870
1-(3-bromo-2-methoxycyclobutyl)oxy-2-propoxybenzene
CID 104673871
1-chloro-2-fluoro-3-methoxybenzene;methane
CID 142301090
1-(3-bromo-2-methoxycyclobutyl)oxy-3-(trifluoromethyl)benzene
CID 104673925
1-chloro-3-(3-chloro-2-fluorophenoxy)-2-fluorobenzene
CID 141078897
1-(3-bromo-2-methoxycyclobutyl)oxy-3,5-difluorobenzene
CID 104674083
1-chloro-3-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-2-fluorobenzene
CID 116691092
2-(3-bromo-2-methoxycyclobutyl)oxy-1-tert-butyl-4-methylbenzene
CID 104673972

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-methoxycyclobutyl)oxy-3-chloro-2-fluorobenzene?
The IUPAC name of 1-(3-bromo-2-methoxycyclobutyl)oxy-3-chloro-2-fluorobenzene (CID 116691082) is 1-(3-bromo-2-methoxycyclobutyl)oxy-3-chloro-2-fluorobenzene.
What is the SMILES notation for 1-(3-bromo-2-methoxycyclobutyl)oxy-3-chloro-2-fluorobenzene?
The canonical SMILES for 1-(3-bromo-2-methoxycyclobutyl)oxy-3-chloro-2-fluorobenzene is COC1C(Br)CC1Oc1cccc(Cl)c1F.
What is the InChIKey of 1-(3-bromo-2-methoxycyclobutyl)oxy-3-chloro-2-fluorobenzene?
The InChIKey is IAYOEJDNZGJGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClFO2/c1-15-11-6(12)5-9(11)16-8-4-2-3-7(13)10(8)14/h2-4,6,9,11H,5H2,1H3.
What are the key properties of 1-(3-bromo-2-methoxycyclobutyl)oxy-3-chloro-2-fluorobenzene?
1-(3-bromo-2-methoxycyclobutyl)oxy-3-chloro-2-fluorobenzene has a molecular weight of 309.56 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-methoxycyclobutyl)oxy-3-chloro-2-fluorobenzene is sourced from PubChem (CID 116691082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).