N-(2,4-difluoro-6-nitrophenyl)azetidin-3-amine

C9H9F2N3O2 — CID 81309875

IUPACN-(2,4-difluoro-6-nitrophenyl)azetidin-3-amine
SMILESO=[N+]([O-])c1cc(F)cc(F)c1NC1CNC1
InChIInChI=1S/C9H9F2N3O2/c10-5-1-7(11)9(8(2-5)14(15)16)13-6-3-12-4-6/h1-2,6,12-13H,3-4H2
InChIKeyBXERWBSSCDITIV-UHFFFAOYSA-N
MW229.19 g/mol
LogP1.26
Rot. Bonds3

About N-(2,4-difluoro-6-nitrophenyl)azetidin-3-amine

N-(2,4-difluoro-6-nitrophenyl)azetidin-3-amine (PubChem CID 81309875) has the molecular formula C9H9F2N3O2 and a molecular weight of 229.19 g/mol. Its IUPAC name is N-(2,4-difluoro-6-nitrophenyl)azetidin-3-amine.

Molecular Properties

Compound NameN-(2,4-difluoro-6-nitrophenyl)azetidin-3-amine
PubChem CID81309875
Molecular FormulaC9H9F2N3O2
Molecular Weight229.19 g/mol
Exact Mass229.07
IUPAC NameN-(2,4-difluoro-6-nitrophenyl)azetidin-3-amine
SMILESO=[N+]([O-])c1cc(F)cc(F)c1NC1CNC1
InChIInChI=1S/C9H9F2N3O2/c10-5-1-7(11)9(8(2-5)14(15)16)13-6-3-12-4-6/h1-2,6,12-13H,3-4H2
InChIKeyBXERWBSSCDITIV-UHFFFAOYSA-N
XLogP1.26
TPSA67.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.19
LogP ≤ 51.26
H-Bond Donors ≤ 52
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'}

Analyze N-(2,4-difluoro-6-nitrophenyl)azetidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(2,4-difluoro-6-nitroanilino)piperidin-1-yl]ethanone
CID 81304503
N-(2,4-dimethylcyclohexyl)-2,4-difluoro-6-nitroaniline
CID 81310957
N-(2,4-difluoro-6-nitrophenyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 81310682
N-(cycloheptylmethyl)-2,4-difluoro-6-nitroaniline
CID 81311125
N-(2,2-dimethylpropyl)-2,4-difluoro-6-nitroaniline
CID 81310142
N-[(3,5-difluorophenyl)methyl]-2,4-difluoro-6-nitroaniline
CID 106528437
2,4-difluoro-N-[1-(1-methylpiperidin-3-yl)ethyl]-6-nitroaniline
CID 81305186
N-(4-fluoro-2-nitrophenyl)-3-azabicyclo[3.1.0]hexan-6-amine
CID 43599097
N-(2,5-dimethyl-4-nitrophenyl)azetidin-3-amine
CID 103144891
N-(2,4-difluoro-6-nitrophenyl)-2,2,2-trifluoroacetamide
CID 81313213
2-amino-N-(2,4-difluoro-6-nitrophenyl)acetamide
CID 81310994
2,4-difluoro-N-[(1-methylpiperidin-2-yl)methyl]-6-nitroaniline
CID 81310749

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluoro-6-nitrophenyl)azetidin-3-amine?
The IUPAC name of N-(2,4-difluoro-6-nitrophenyl)azetidin-3-amine (CID 81309875) is N-(2,4-difluoro-6-nitrophenyl)azetidin-3-amine.
What is the SMILES notation for N-(2,4-difluoro-6-nitrophenyl)azetidin-3-amine?
The canonical SMILES for N-(2,4-difluoro-6-nitrophenyl)azetidin-3-amine is O=[N+]([O-])c1cc(F)cc(F)c1NC1CNC1.
What is the InChIKey of N-(2,4-difluoro-6-nitrophenyl)azetidin-3-amine?
The InChIKey is BXERWBSSCDITIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2N3O2/c10-5-1-7(11)9(8(2-5)14(15)16)13-6-3-12-4-6/h1-2,6,12-13H,3-4H2.
What are the key properties of N-(2,4-difluoro-6-nitrophenyl)azetidin-3-amine?
N-(2,4-difluoro-6-nitrophenyl)azetidin-3-amine has a molecular weight of 229.19 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluoro-6-nitrophenyl)azetidin-3-amine is sourced from PubChem (CID 81309875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).