1-(3-bromo-2-methoxycyclobutyl)oxy-2,3-difluorobenzene

C11H11BrF2O2 — CID 104674085

IUPAC1-(3-bromo-2-methoxycyclobutyl)oxy-2,3-difluorobenzene
SMILESCOC1C(Br)CC1Oc1cccc(F)c1F
InChIInChI=1S/C11H11BrF2O2/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
InChIKeySECFRNXDCBMYHL-UHFFFAOYSA-N
MW293.11 g/mol
LogP2.89
Rot. Bonds3

About 1-(3-bromo-2-methoxycyclobutyl)oxy-2,3-difluorobenzene

1-(3-bromo-2-methoxycyclobutyl)oxy-2,3-difluorobenzene (PubChem CID 104674085) has the molecular formula C11H11BrF2O2 and a molecular weight of 293.11 g/mol. Its IUPAC name is 1-(3-bromo-2-methoxycyclobutyl)oxy-2,3-difluorobenzene.

Molecular Properties

Compound Name1-(3-bromo-2-methoxycyclobutyl)oxy-2,3-difluorobenzene
PubChem CID104674085
Molecular FormulaC11H11BrF2O2
Molecular Weight293.11 g/mol
Exact Mass291.99
IUPAC Name1-(3-bromo-2-methoxycyclobutyl)oxy-2,3-difluorobenzene
SMILESCOC1C(Br)CC1Oc1cccc(F)c1F
InChIInChI=1S/C11H11BrF2O2/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
InChIKeySECFRNXDCBMYHL-UHFFFAOYSA-N
XLogP2.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.11
LogP ≤ 52.89
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-3-chloro-2-fluorobenzene
CID 116691082
2-(3-bromo-2-methoxycyclobutyl)oxy-1,3-difluorobenzene
CID 104674156
1-(3-bromo-2-methoxycyclobutyl)oxy-2-phenylbenzene
CID 104673858
1-(3-bromo-2-propoxycyclobutyl)oxy-3-chloro-2-fluorobenzene
CID 107943096
3-(2,3-difluorophenoxy)-2-ethoxy-N-ethylcyclobutan-1-amine
CID 104676497
1-(3-bromo-2-methoxycyclobutyl)oxy-3-(trifluoromethyl)benzene
CID 104673925
1-(3-bromo-2-methoxycyclobutyl)oxy-3,5-difluorobenzene
CID 104674083
3-bromo-1-(2,3-difluorophenoxy)spiro[3.4]octane
CID 66343922
2-(3-bromo-2-methoxycyclobutyl)oxy-1-tert-butyl-4-methylbenzene
CID 104673972
1-(3-bromo-2-methoxycyclobutyl)oxy-2-tert-butyl-4-methoxybenzene
CID 104673856
2-(3-bromo-2-ethoxycyclobutyl)oxy-1,3-dimethoxybenzene
CID 104675482
2-(2,3-difluorophenoxy)-N,4-diethylcyclohexan-1-amine
CID 63036050

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-methoxycyclobutyl)oxy-2,3-difluorobenzene?
The IUPAC name of 1-(3-bromo-2-methoxycyclobutyl)oxy-2,3-difluorobenzene (CID 104674085) is 1-(3-bromo-2-methoxycyclobutyl)oxy-2,3-difluorobenzene.
What is the SMILES notation for 1-(3-bromo-2-methoxycyclobutyl)oxy-2,3-difluorobenzene?
The canonical SMILES for 1-(3-bromo-2-methoxycyclobutyl)oxy-2,3-difluorobenzene is COC1C(Br)CC1Oc1cccc(F)c1F.
What is the InChIKey of 1-(3-bromo-2-methoxycyclobutyl)oxy-2,3-difluorobenzene?
The InChIKey is SECFRNXDCBMYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF2O2/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-2,3-difluorobenzene?
1-(3-bromo-2-methoxycyclobutyl)oxy-2,3-difluorobenzene has a molecular weight of 293.11 g/mol, XLogP of 2.89, 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-2,3-difluorobenzene is sourced from PubChem (CID 104674085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).