N-(2,3-difluoro-6-nitrophenyl)-N-ethylazetidin-3-amine

C11H13F2N3O2 — CID 66181559

IUPACN-(2,3-difluoro-6-nitrophenyl)-N-ethylazetidin-3-amine
SMILESCCN(c1c([N+](=O)[O-])ccc(F)c1F)C1CNC1
InChIInChI=1S/C11H13F2N3O2/c1-2-15(7-5-14-6-7)11-9(16(17)18)4-3-8(12)10(11)13/h3-4,7,14H,2,5-6H2,1H3
InChIKeyGYEZDGYNHFAYQU-UHFFFAOYSA-N
MW257.24 g/mol
LogP1.67
Rot. Bonds4

About N-(2,3-difluoro-6-nitrophenyl)-N-ethylazetidin-3-amine

N-(2,3-difluoro-6-nitrophenyl)-N-ethylazetidin-3-amine (PubChem CID 66181559) has the molecular formula C11H13F2N3O2 and a molecular weight of 257.24 g/mol. Its IUPAC name is N-(2,3-difluoro-6-nitrophenyl)-N-ethylazetidin-3-amine.

Molecular Properties

Compound NameN-(2,3-difluoro-6-nitrophenyl)-N-ethylazetidin-3-amine
PubChem CID66181559
Molecular FormulaC11H13F2N3O2
Molecular Weight257.24 g/mol
Exact Mass257.10
IUPAC NameN-(2,3-difluoro-6-nitrophenyl)-N-ethylazetidin-3-amine
SMILESCCN(c1c([N+](=O)[O-])ccc(F)c1F)C1CNC1
InChIInChI=1S/C11H13F2N3O2/c1-2-15(7-5-14-6-7)11-9(16(17)18)4-3-8(12)10(11)13/h3-4,7,14H,2,5-6H2,1H3
InChIKeyGYEZDGYNHFAYQU-UHFFFAOYSA-N
XLogP1.67
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 51.67
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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Related Compounds

N-(2-fluoro-6-nitrophenyl)-N-propylazetidin-3-amine
CID 112740791
N-(azetidin-3-yl)-N-ethyl-7-fluoro-5-nitroquinolin-8-amine
CID 83163760
N-ethyl-N-(3-methyl-4-nitrophenyl)azetidin-3-amine
CID 66182840
N-(4-chloro-5-fluoro-2-nitrophenyl)-N-ethylazetidin-3-amine
CID 66183042
N-ethyl-2,6-difluoro-3-nitro-N-pyrrolidin-3-ylbenzamide
CID 79759439
N-ethyl-N-(2-methyl-6-nitrophenyl)pyrrolidin-3-amine
CID 115553862
N-(azetidin-3-yl)-N-ethyl-4-fluoro-3-nitrobenzenesulfonamide
CID 66184704
2,3-difluoro-N-methyl-6-nitro-N-pentan-3-ylaniline
CID 114281571
N-ethyl-2,6-difluoro-N-methyl-3-nitroaniline
CID 134441637
3-(2,3-difluoro-6-nitrophenoxy)azetidine
CID 63105342
N-(3-fluoro-2-nitrophenyl)-N-propylazetidin-3-amine
CID 66215143
N-(azetidin-3-yl)-N-ethyl-4-methyl-3-nitropyridin-2-amine
CID 66182623

Frequently Asked Questions

What is the IUPAC name of N-(2,3-difluoro-6-nitrophenyl)-N-ethylazetidin-3-amine?
The IUPAC name of N-(2,3-difluoro-6-nitrophenyl)-N-ethylazetidin-3-amine (CID 66181559) is N-(2,3-difluoro-6-nitrophenyl)-N-ethylazetidin-3-amine.
What is the SMILES notation for N-(2,3-difluoro-6-nitrophenyl)-N-ethylazetidin-3-amine?
The canonical SMILES for N-(2,3-difluoro-6-nitrophenyl)-N-ethylazetidin-3-amine is CCN(c1c([N+](=O)[O-])ccc(F)c1F)C1CNC1.
What is the InChIKey of N-(2,3-difluoro-6-nitrophenyl)-N-ethylazetidin-3-amine?
The InChIKey is GYEZDGYNHFAYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N3O2/c1-2-15(7-5-14-6-7)11-9(16(17)18)4-3-8(12)10(11)13/h3-4,7,14H,2,5-6H2,1H3.
What are the key properties of N-(2,3-difluoro-6-nitrophenyl)-N-ethylazetidin-3-amine?
N-(2,3-difluoro-6-nitrophenyl)-N-ethylazetidin-3-amine has a molecular weight of 257.24 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-difluoro-6-nitrophenyl)-N-ethylazetidin-3-amine is sourced from PubChem (CID 66181559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).