3-(4-chloro-5-fluoro-2-nitrophenoxy)cyclobutan-1-amine

C10H10ClFN2O3 — CID 66077267

IUPAC3-(4-chloro-5-fluoro-2-nitrophenoxy)cyclobutan-1-amine
SMILESNC1CC(Oc2cc(F)c(Cl)cc2[N+](=O)[O-])C1
InChIInChI=1S/C10H10ClFN2O3/c11-7-3-9(14(15)16)10(4-8(7)12)17-6-1-5(13)2-6/h3-6H,1-2,13H2
InChIKeyPZTZTQYRHKYPIQ-UHFFFAOYSA-N
MW260.65 g/mol
LogP2.26
Rot. Bonds3

About 3-(4-chloro-5-fluoro-2-nitrophenoxy)cyclobutan-1-amine

3-(4-chloro-5-fluoro-2-nitrophenoxy)cyclobutan-1-amine (PubChem CID 66077267) has the molecular formula C10H10ClFN2O3 and a molecular weight of 260.65 g/mol. Its IUPAC name is 3-(4-chloro-5-fluoro-2-nitrophenoxy)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-chloro-5-fluoro-2-nitrophenoxy)cyclobutan-1-amine
PubChem CID66077267
Molecular FormulaC10H10ClFN2O3
Molecular Weight260.65 g/mol
Exact Mass260.04
IUPAC Name3-(4-chloro-5-fluoro-2-nitrophenoxy)cyclobutan-1-amine
SMILESNC1CC(Oc2cc(F)c(Cl)cc2[N+](=O)[O-])C1
InChIInChI=1S/C10H10ClFN2O3/c11-7-3-9(14(15)16)10(4-8(7)12)17-6-1-5(13)2-6/h3-6H,1-2,13H2
InChIKeyPZTZTQYRHKYPIQ-UHFFFAOYSA-N
XLogP2.26
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.65
LogP ≤ 52.26
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-5-fluoro-2-nitrophenoxy)cyclobutan-1-amine?
The IUPAC name of 3-(4-chloro-5-fluoro-2-nitrophenoxy)cyclobutan-1-amine (CID 66077267) is 3-(4-chloro-5-fluoro-2-nitrophenoxy)cyclobutan-1-amine.
What is the SMILES notation for 3-(4-chloro-5-fluoro-2-nitrophenoxy)cyclobutan-1-amine?
The canonical SMILES for 3-(4-chloro-5-fluoro-2-nitrophenoxy)cyclobutan-1-amine is NC1CC(Oc2cc(F)c(Cl)cc2[N+](=O)[O-])C1.
What is the InChIKey of 3-(4-chloro-5-fluoro-2-nitrophenoxy)cyclobutan-1-amine?
The InChIKey is PZTZTQYRHKYPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFN2O3/c11-7-3-9(14(15)16)10(4-8(7)12)17-6-1-5(13)2-6/h3-6H,1-2,13H2.
What are the key properties of 3-(4-chloro-5-fluoro-2-nitrophenoxy)cyclobutan-1-amine?
3-(4-chloro-5-fluoro-2-nitrophenoxy)cyclobutan-1-amine has a molecular weight of 260.65 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-5-fluoro-2-nitrophenoxy)cyclobutan-1-amine is sourced from PubChem (CID 66077267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).