2-chloro-1-cyclobutyloxy-3-fluoro-4-nitrobenzene

C10H9ClFNO3 — CID 166538432

IUPAC2-chloro-1-cyclobutyloxy-3-fluoro-4-nitrobenzene
SMILESO=[N+]([O-])c1ccc(OC2CCC2)c(Cl)c1F
InChIInChI=1S/C10H9ClFNO3/c11-9-8(16-6-2-1-3-6)5-4-7(10(9)12)13(14)15/h4-6H,1-3H2
InChIKeyXSDSNTJZAHTEKK-UHFFFAOYSA-N
MW245.64 g/mol
LogP3.32
Rot. Bonds3

About 2-chloro-1-cyclobutyloxy-3-fluoro-4-nitrobenzene

2-chloro-1-cyclobutyloxy-3-fluoro-4-nitrobenzene (PubChem CID 166538432) has the molecular formula C10H9ClFNO3 and a molecular weight of 245.64 g/mol. Its IUPAC name is 2-chloro-1-cyclobutyloxy-3-fluoro-4-nitrobenzene.

Molecular Properties

Compound Name2-chloro-1-cyclobutyloxy-3-fluoro-4-nitrobenzene
PubChem CID166538432
Molecular FormulaC10H9ClFNO3
Molecular Weight245.64 g/mol
Exact Mass245.03
IUPAC Name2-chloro-1-cyclobutyloxy-3-fluoro-4-nitrobenzene
SMILESO=[N+]([O-])c1ccc(OC2CCC2)c(Cl)c1F
InChIInChI=1S/C10H9ClFNO3/c11-9-8(16-6-2-1-3-6)5-4-7(10(9)12)13(14)15/h4-6H,1-3H2
InChIKeyXSDSNTJZAHTEKK-UHFFFAOYSA-N
XLogP3.32
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.64
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5-chloro-2-nitrophenoxy)cycloheptane
CID 82935207
2-chloro-1-ethoxy-3-fluoro-4-nitrobenzene
CID 125116419
4-bromo-1-cyclobutyloxy-2-nitrobenzene
CID 62141791
CID 164568231
CID 164568231
2-chloro-4-cyclopentyloxy-5-nitropyridine
CID 170737664
1-(cyclobutyloxymethyl)-2-fluoro-3-nitrobenzene
CID 107348718
5-cyclobutyloxy-4-fluoro-2-nitrobenzoic acid
CID 62116825
[5-(bromomethyl)-2-nitrophenoxy]cycloheptane
CID 82928233
4-(4-chloro-2-nitrophenoxy)-1-methylpiperidine
CID 130270636
1,5-bis(4-nitrophenoxy)cyclooctane
CID 9437151
2-chloro-3-fluoro-4-nitrobenzoic acid
CID 119001973
5-cyclopentyloxy-2,4-dinitrophenol
CID 139703889

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-cyclobutyloxy-3-fluoro-4-nitrobenzene?
The IUPAC name of 2-chloro-1-cyclobutyloxy-3-fluoro-4-nitrobenzene (CID 166538432) is 2-chloro-1-cyclobutyloxy-3-fluoro-4-nitrobenzene.
What is the SMILES notation for 2-chloro-1-cyclobutyloxy-3-fluoro-4-nitrobenzene?
The canonical SMILES for 2-chloro-1-cyclobutyloxy-3-fluoro-4-nitrobenzene is O=[N+]([O-])c1ccc(OC2CCC2)c(Cl)c1F.
What is the InChIKey of 2-chloro-1-cyclobutyloxy-3-fluoro-4-nitrobenzene?
The InChIKey is XSDSNTJZAHTEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFNO3/c11-9-8(16-6-2-1-3-6)5-4-7(10(9)12)13(14)15/h4-6H,1-3H2.
What are the key properties of 2-chloro-1-cyclobutyloxy-3-fluoro-4-nitrobenzene?
2-chloro-1-cyclobutyloxy-3-fluoro-4-nitrobenzene has a molecular weight of 245.64 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-cyclobutyloxy-3-fluoro-4-nitrobenzene is sourced from PubChem (CID 166538432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).