3-(2,4-dichlorophenyl)-3-(2-fluoro-4-nitrophenoxy)oxetane

C15H10Cl2FNO4 — CID 118455905

IUPAC3-(2,4-dichlorophenyl)-3-(2-fluoro-4-nitrophenoxy)oxetane
SMILESO=[N+]([O-])c1ccc(OC2(c3ccc(Cl)cc3Cl)COC2)c(F)c1
InChIInChI=1S/C15H10Cl2FNO4/c16-9-1-3-11(12(17)5-9)15(7-22-8-15)23-14-4-2-10(19(20)21)6-13(14)18/h1-6H,7-8H2
InChIKeyZUFQTAWBFBWIJG-UHFFFAOYSA-N
MW358.15 g/mol
LogP4.35
Rot. Bonds4

About 3-(2,4-dichlorophenyl)-3-(2-fluoro-4-nitrophenoxy)oxetane

3-(2,4-dichlorophenyl)-3-(2-fluoro-4-nitrophenoxy)oxetane (PubChem CID 118455905) has the molecular formula C15H10Cl2FNO4 and a molecular weight of 358.15 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-3-(2-fluoro-4-nitrophenoxy)oxetane.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-3-(2-fluoro-4-nitrophenoxy)oxetane
PubChem CID118455905
Molecular FormulaC15H10Cl2FNO4
Molecular Weight358.15 g/mol
Exact Mass357.00
IUPAC Name3-(2,4-dichlorophenyl)-3-(2-fluoro-4-nitrophenoxy)oxetane
SMILESO=[N+]([O-])c1ccc(OC2(c3ccc(Cl)cc3Cl)COC2)c(F)c1
InChIInChI=1S/C15H10Cl2FNO4/c16-9-1-3-11(12(17)5-9)15(7-22-8-15)23-14-4-2-10(19(20)21)6-13(14)18/h1-6H,7-8H2
InChIKeyZUFQTAWBFBWIJG-UHFFFAOYSA-N
XLogP4.35
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.15
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

2,4-dichloro-1-[1-(4-nitrophenoxy)cyclopentyl]benzene
CID 118455918
2,4-dichloro-1-[1-(4-nitrophenoxy)cyclohexyl]benzene
CID 118456146
2-chloro-1-(2,4-dichlorophenoxy)-4-nitrobenzene
CID 2726875
5-chloro-2-(2-fluoro-4-nitrophenoxy)benzoic acid
CID 61395827
2-chloro-4-(2-fluoro-4-nitrophenoxy)-1-methylbenzene
CID 154939680
1-(chloromethoxy)-2-fluoro-4-nitrobenzene
CID 79530789
2-(2,4-dichlorophenyl)-1-[2-(2,4-dichlorophenyl)-4-nitrophenoxy]-4-nitrobenzene
CID 21417787
trans-bis(2-fluoro-4-nitrophenyl) (1R,2R)-cyclopropane-1,2-dicarboxylate
CID 156761766
3-chloro-4-(2-fluoro-4-nitrophenoxy)benzaldehyde
CID 47453575
4-chloro-6-[(2-fluoro-4-nitrophenoxy)methyl]-1,3-benzodioxole
CID 52618950
2-chloro-6-(2-fluoro-4-nitrophenoxy)benzoic acid
CID 61037465
1-[1-(3-chlorophenyl)ethoxy]-2-fluoro-4-nitrobenzene
CID 174601704

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-3-(2-fluoro-4-nitrophenoxy)oxetane?
The IUPAC name of 3-(2,4-dichlorophenyl)-3-(2-fluoro-4-nitrophenoxy)oxetane (CID 118455905) is 3-(2,4-dichlorophenyl)-3-(2-fluoro-4-nitrophenoxy)oxetane.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-3-(2-fluoro-4-nitrophenoxy)oxetane?
The canonical SMILES for 3-(2,4-dichlorophenyl)-3-(2-fluoro-4-nitrophenoxy)oxetane is O=[N+]([O-])c1ccc(OC2(c3ccc(Cl)cc3Cl)COC2)c(F)c1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-3-(2-fluoro-4-nitrophenoxy)oxetane?
The InChIKey is ZUFQTAWBFBWIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2FNO4/c16-9-1-3-11(12(17)5-9)15(7-22-8-15)23-14-4-2-10(19(20)21)6-13(14)18/h1-6H,7-8H2.
What are the key properties of 3-(2,4-dichlorophenyl)-3-(2-fluoro-4-nitrophenoxy)oxetane?
3-(2,4-dichlorophenyl)-3-(2-fluoro-4-nitrophenoxy)oxetane has a molecular weight of 358.15 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-3-(2-fluoro-4-nitrophenoxy)oxetane is sourced from PubChem (CID 118455905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).