N-(4-fluoro-2-nitrophenyl)-3-azabicyclo[3.1.0]hexan-6-amine

C11H12FN3O2 — CID 43599097

IUPACN-(4-fluoro-2-nitrophenyl)-3-azabicyclo[3.1.0]hexan-6-amine
SMILESO=[N+]([O-])c1cc(F)ccc1NC1C2CNCC21
InChIInChI=1S/C11H12FN3O2/c12-6-1-2-9(10(3-6)15(16)17)14-11-7-4-13-5-8(7)11/h1-3,7-8,11,13-14H,4-5H2
InChIKeyMMMVOHNKOBBNAH-UHFFFAOYSA-N
MW237.23 g/mol
LogP1.36
Rot. Bonds3

About N-(4-fluoro-2-nitrophenyl)-3-azabicyclo[3.1.0]hexan-6-amine

N-(4-fluoro-2-nitrophenyl)-3-azabicyclo[3.1.0]hexan-6-amine (PubChem CID 43599097) has the molecular formula C11H12FN3O2 and a molecular weight of 237.23 g/mol. Its IUPAC name is N-(4-fluoro-2-nitrophenyl)-3-azabicyclo[3.1.0]hexan-6-amine.

Molecular Properties

Compound NameN-(4-fluoro-2-nitrophenyl)-3-azabicyclo[3.1.0]hexan-6-amine
PubChem CID43599097
Molecular FormulaC11H12FN3O2
Molecular Weight237.23 g/mol
Exact Mass237.09
IUPAC NameN-(4-fluoro-2-nitrophenyl)-3-azabicyclo[3.1.0]hexan-6-amine
SMILESO=[N+]([O-])c1cc(F)ccc1NC1C2CNCC21
InChIInChI=1S/C11H12FN3O2/c12-6-1-2-9(10(3-6)15(16)17)14-11-7-4-13-5-8(7)11/h1-3,7-8,11,13-14H,4-5H2
InChIKeyMMMVOHNKOBBNAH-UHFFFAOYSA-N
XLogP1.36
TPSA67.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 51.36
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'}

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Related Compounds

N-(4-methyl-2-nitrophenyl)-3-azabicyclo[3.1.0]hexan-6-amine
CID 43599074
N-cyclohexyl-4-fluoro-2-nitroaniline
CID 12793832
N-(4-fluoro-2-nitrophenyl)azepan-4-amine
CID 103981106
1-N-(4-fluoro-2-nitrophenyl)cyclobutane-1,3-diamine
CID 43599343
2-(azetidin-3-yl)-N-(4-fluoro-2-nitrophenyl)acetamide
CID 64615986
N-(2-methyl-3-nitrophenyl)-3-azabicyclo[3.1.0]hexan-6-amine
CID 63077105
(3R)-N-(4-fluoro-2-nitrophenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
CID 25468652
4-fluoro-2-nitro-N-(3,3,5,5-tetramethylcyclohexyl)aniline
CID 115998709
N-(4-fluoro-2-nitrophenyl)-2-methylpiperidin-3-amine
CID 114695569
N-(3-azabicyclo[3.1.0]hexan-6-yl)-8-nitroquinolin-5-amine
CID 43599066
4-fluoro-2-nitro-N-(2-propylcyclopropyl)aniline
CID 113245630
N-(4-fluoro-2-nitrophenyl)-4,4-dimethylcycloheptan-1-amine
CID 65083848

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-nitrophenyl)-3-azabicyclo[3.1.0]hexan-6-amine?
The IUPAC name of N-(4-fluoro-2-nitrophenyl)-3-azabicyclo[3.1.0]hexan-6-amine (CID 43599097) is N-(4-fluoro-2-nitrophenyl)-3-azabicyclo[3.1.0]hexan-6-amine.
What is the SMILES notation for N-(4-fluoro-2-nitrophenyl)-3-azabicyclo[3.1.0]hexan-6-amine?
The canonical SMILES for N-(4-fluoro-2-nitrophenyl)-3-azabicyclo[3.1.0]hexan-6-amine is O=[N+]([O-])c1cc(F)ccc1NC1C2CNCC21.
What is the InChIKey of N-(4-fluoro-2-nitrophenyl)-3-azabicyclo[3.1.0]hexan-6-amine?
The InChIKey is MMMVOHNKOBBNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O2/c12-6-1-2-9(10(3-6)15(16)17)14-11-7-4-13-5-8(7)11/h1-3,7-8,11,13-14H,4-5H2.
What are the key properties of N-(4-fluoro-2-nitrophenyl)-3-azabicyclo[3.1.0]hexan-6-amine?
N-(4-fluoro-2-nitrophenyl)-3-azabicyclo[3.1.0]hexan-6-amine has a molecular weight of 237.23 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-nitrophenyl)-3-azabicyclo[3.1.0]hexan-6-amine is sourced from PubChem (CID 43599097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).