2-(3-bromocyclobutyl)oxy-4-fluoro-1-nitrobenzene

C10H9BrFNO3 — CID 66343806

IUPAC2-(3-bromocyclobutyl)oxy-4-fluoro-1-nitrobenzene
SMILESO=[N+]([O-])c1ccc(F)cc1OC1CC(Br)C1
InChIInChI=1S/C10H9BrFNO3/c11-6-3-8(4-6)16-10-5-7(12)1-2-9(10)13(14)15/h1-2,5-6,8H,3-4H2
InChIKeyYVRJHBYXGQKZOJ-UHFFFAOYSA-N
MW290.09 g/mol
LogP3.04
Rot. Bonds3

About 2-(3-bromocyclobutyl)oxy-4-fluoro-1-nitrobenzene

2-(3-bromocyclobutyl)oxy-4-fluoro-1-nitrobenzene (PubChem CID 66343806) has the molecular formula C10H9BrFNO3 and a molecular weight of 290.09 g/mol. Its IUPAC name is 2-(3-bromocyclobutyl)oxy-4-fluoro-1-nitrobenzene.

Molecular Properties

Compound Name2-(3-bromocyclobutyl)oxy-4-fluoro-1-nitrobenzene
PubChem CID66343806
Molecular FormulaC10H9BrFNO3
Molecular Weight290.09 g/mol
Exact Mass288.97
IUPAC Name2-(3-bromocyclobutyl)oxy-4-fluoro-1-nitrobenzene
SMILESO=[N+]([O-])c1ccc(F)cc1OC1CC(Br)C1
InChIInChI=1S/C10H9BrFNO3/c11-6-3-8(4-6)16-10-5-7(12)1-2-9(10)13(14)15/h1-2,5-6,8H,3-4H2
InChIKeyYVRJHBYXGQKZOJ-UHFFFAOYSA-N
XLogP3.04
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.09
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(5-fluoro-2-nitrophenoxy)cyclopentane-1,2-diol
CID 76781849
2-(3,4-dimethoxycyclopentyl)oxy-4-fluoro-1-nitrobenzene
CID 76781895
3-(5-fluoro-2-nitrophenoxy)cyclopentan-1-amine
CID 76781898
4-(3-bromocyclobutyl)oxy-2-fluoro-1-nitrobenzene
CID 66344105
8-(5-fluoro-2-nitrophenoxy)-1,4-dioxaspiro[4.5]decane
CID 58421665
(3R,3aR,6S,6aS)-6-fluoro-3-(5-fluoro-2-nitrophenoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 86718464
1-(3-bromocyclobutyl)oxy-4-methoxy-2-nitrobenzene
CID 66344436
N-[4-(5-fluoro-2-nitrophenoxy)cyclohexyl]acetamide
CID 58421485
(3S,5S)-3-(5-fluoro-2-nitrophenoxy)-5-methyloxolan-2-one
CID 51923988
tert-butyl-[(1S,3R)-3-(5-fluoro-2-nitrophenoxy)cyclohexyl]oxy-dimethylsilane
CID 58421666
tert-butyl-[3-(5-fluoro-2-nitrophenoxy)cyclohexyl]oxy-dimethylsilane
CID 67385067
4-(3-bromocyclobutyl)oxy-2-methyl-1-nitrobenzene
CID 66343559

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromocyclobutyl)oxy-4-fluoro-1-nitrobenzene?
The IUPAC name of 2-(3-bromocyclobutyl)oxy-4-fluoro-1-nitrobenzene (CID 66343806) is 2-(3-bromocyclobutyl)oxy-4-fluoro-1-nitrobenzene.
What is the SMILES notation for 2-(3-bromocyclobutyl)oxy-4-fluoro-1-nitrobenzene?
The canonical SMILES for 2-(3-bromocyclobutyl)oxy-4-fluoro-1-nitrobenzene is O=[N+]([O-])c1ccc(F)cc1OC1CC(Br)C1.
What is the InChIKey of 2-(3-bromocyclobutyl)oxy-4-fluoro-1-nitrobenzene?
The InChIKey is YVRJHBYXGQKZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrFNO3/c11-6-3-8(4-6)16-10-5-7(12)1-2-9(10)13(14)15/h1-2,5-6,8H,3-4H2.
What are the key properties of 2-(3-bromocyclobutyl)oxy-4-fluoro-1-nitrobenzene?
2-(3-bromocyclobutyl)oxy-4-fluoro-1-nitrobenzene has a molecular weight of 290.09 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromocyclobutyl)oxy-4-fluoro-1-nitrobenzene is sourced from PubChem (CID 66343806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).