1-N-(4-fluoro-2-nitrophenyl)cyclobutane-1,3-diamine

C10H12FN3O2 — CID 43599343

IUPAC1-N-(4-fluoro-2-nitrophenyl)cyclobutane-1,3-diamine
SMILESNC1CC(Nc2ccc(F)cc2[N+](=O)[O-])C1
InChIInChI=1S/C10H12FN3O2/c11-6-1-2-9(10(3-6)14(15)16)13-8-4-7(12)5-8/h1-3,7-8,13H,4-5,12H2
InChIKeyOHBKAYOWEDRHSU-UHFFFAOYSA-N
MW225.22 g/mol
LogP1.64
Rot. Bonds3

About 1-N-(4-fluoro-2-nitrophenyl)cyclobutane-1,3-diamine

1-N-(4-fluoro-2-nitrophenyl)cyclobutane-1,3-diamine (PubChem CID 43599343) has the molecular formula C10H12FN3O2 and a molecular weight of 225.22 g/mol. Its IUPAC name is 1-N-(4-fluoro-2-nitrophenyl)cyclobutane-1,3-diamine.

Molecular Properties

Compound Name1-N-(4-fluoro-2-nitrophenyl)cyclobutane-1,3-diamine
PubChem CID43599343
Molecular FormulaC10H12FN3O2
Molecular Weight225.22 g/mol
Exact Mass225.09
IUPAC Name1-N-(4-fluoro-2-nitrophenyl)cyclobutane-1,3-diamine
SMILESNC1CC(Nc2ccc(F)cc2[N+](=O)[O-])C1
InChIInChI=1S/C10H12FN3O2/c11-6-1-2-9(10(3-6)14(15)16)13-8-4-7(12)5-8/h1-3,7-8,13H,4-5,12H2
InChIKeyOHBKAYOWEDRHSU-UHFFFAOYSA-N
XLogP1.64
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 51.64
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

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CID 12793832
4-[(3-aminocyclobutyl)amino]-3-nitrobenzamide
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CID 115998709
5-(5-fluoro-2-nitroanilino)-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-one
CID 18549079
N-(4-fluoro-2-nitrophenyl)-1,5-dimethylpyrrolidin-3-amine
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N-(3-aminocyclobutyl)-4-fluoro-2-nitrobenzenesulfonamide
CID 43597679
N-(4-fluoro-2-nitrophenyl)azepan-4-amine
CID 103981106
N-(4-fluoro-2-nitrophenyl)-4,4-dimethylcycloheptan-1-amine
CID 65083848
N-(4-fluoro-2-nitrophenyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 43685316
N-(4-fluoro-2-nitrophenyl)-3-azabicyclo[3.1.0]hexan-6-amine
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4-fluoro-2-nitro-N-(2-propylcyclopropyl)aniline
CID 113245630
(3R)-N-(4-fluoro-2-nitrophenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
CID 25468652

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-fluoro-2-nitrophenyl)cyclobutane-1,3-diamine?
The IUPAC name of 1-N-(4-fluoro-2-nitrophenyl)cyclobutane-1,3-diamine (CID 43599343) is 1-N-(4-fluoro-2-nitrophenyl)cyclobutane-1,3-diamine.
What is the SMILES notation for 1-N-(4-fluoro-2-nitrophenyl)cyclobutane-1,3-diamine?
The canonical SMILES for 1-N-(4-fluoro-2-nitrophenyl)cyclobutane-1,3-diamine is NC1CC(Nc2ccc(F)cc2[N+](=O)[O-])C1.
What is the InChIKey of 1-N-(4-fluoro-2-nitrophenyl)cyclobutane-1,3-diamine?
The InChIKey is OHBKAYOWEDRHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O2/c11-6-1-2-9(10(3-6)14(15)16)13-8-4-7(12)5-8/h1-3,7-8,13H,4-5,12H2.
What are the key properties of 1-N-(4-fluoro-2-nitrophenyl)cyclobutane-1,3-diamine?
1-N-(4-fluoro-2-nitrophenyl)cyclobutane-1,3-diamine has a molecular weight of 225.22 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-fluoro-2-nitrophenyl)cyclobutane-1,3-diamine is sourced from PubChem (CID 43599343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).