2-N-(4-fluoro-2-nitrophenyl)propane-1,2-diamine

C9H12FN3O2 — CID 63733393

IUPAC2-N-(4-fluoro-2-nitrophenyl)propane-1,2-diamine
SMILESCC(CN)Nc1ccc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C9H12FN3O2/c1-6(5-11)12-8-3-2-7(10)4-9(8)13(14)15/h2-4,6,12H,5,11H2,1H3
InChIKeyUCYGMIAGRVZKTH-UHFFFAOYSA-N
MW213.21 g/mol
LogP1.49
Rot. Bonds4

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

2-N-(4-fluoro-2-nitrophenyl)propane-1,2-diamine (PubChem CID 63733393) has the molecular formula C9H12FN3O2 and a molecular weight of 213.21 g/mol. Its IUPAC name is 2-N-(4-fluoro-2-nitrophenyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-(4-fluoro-2-nitrophenyl)propane-1,2-diamine
PubChem CID63733393
Molecular FormulaC9H12FN3O2
Molecular Weight213.21 g/mol
Exact Mass213.09
IUPAC Name2-N-(4-fluoro-2-nitrophenyl)propane-1,2-diamine
SMILESCC(CN)Nc1ccc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C9H12FN3O2/c1-6(5-11)12-8-3-2-7(10)4-9(8)13(14)15/h2-4,6,12H,5,11H2,1H3
InChIKeyUCYGMIAGRVZKTH-UHFFFAOYSA-N
XLogP1.49
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 51.49
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

4-fluoro-N-(5-methylhexan-2-yl)-2-nitroaniline
CID 43685298
2-N-(2,4-dinitrophenyl)propane-1,2-diamine
CID 63733385
1-N,1-N-diethyl-2-N-(4-fluoro-2-nitrophenyl)propane-1,2-diamine
CID 115594916
4-fluoro-2-nitro-N-pentan-3-ylaniline
CID 43218109
4-fluoro-N-(4-methylsulfonylbutan-2-yl)-2-nitroaniline
CID 133386764
4-[2-(4-fluoro-2-nitroanilino)propyl]phenol
CID 115494070
1-N,1-N-diethyl-4-N-(4-fluoro-2-nitrophenyl)pentane-1,4-diamine
CID 115569605
4-amino-N-(4-fluoro-2-nitrophenyl)-3-methylbutanamide
CID 81075417
N-[(2S)-1-aminopropan-2-yl]-4-fluoro-2-nitrobenzamide
CID 120506353
N-[(2R)-1-aminopropan-2-yl]-4-fluoro-2-nitrobenzenesulfonamide
CID 98542426
2-N-(3,5-difluoro-2-nitrophenyl)propane-1,2-diamine
CID 115509740
3-(4-fluoro-2-nitroanilino)-2-methylbutanoic acid
CID 113415980

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-fluoro-2-nitrophenyl)propane-1,2-diamine?
The IUPAC name of 2-N-(4-fluoro-2-nitrophenyl)propane-1,2-diamine (CID 63733393) is 2-N-(4-fluoro-2-nitrophenyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-(4-fluoro-2-nitrophenyl)propane-1,2-diamine?
The canonical SMILES for 2-N-(4-fluoro-2-nitrophenyl)propane-1,2-diamine is CC(CN)Nc1ccc(F)cc1[N+](=O)[O-].
What is the InChIKey of 2-N-(4-fluoro-2-nitrophenyl)propane-1,2-diamine?
The InChIKey is UCYGMIAGRVZKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O2/c1-6(5-11)12-8-3-2-7(10)4-9(8)13(14)15/h2-4,6,12H,5,11H2,1H3.
What are the key properties of 2-N-(4-fluoro-2-nitrophenyl)propane-1,2-diamine?
2-N-(4-fluoro-2-nitrophenyl)propane-1,2-diamine has a molecular weight of 213.21 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-fluoro-2-nitrophenyl)propane-1,2-diamine is sourced from PubChem (CID 63733393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).