5-fluoro-2-nitro-N-pentan-2-ylaniline

C11H15FN2O2 — CID 62377790

IUPAC5-fluoro-2-nitro-N-pentan-2-ylaniline
SMILESCCCC(C)Nc1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H15FN2O2/c1-3-4-8(2)13-10-7-9(12)5-6-11(10)14(15)16/h5-8,13H,3-4H2,1-2H3
InChIKeyBKRRDZGDYNYGTO-UHFFFAOYSA-N
MW226.25 g/mol
LogP3.33
Rot. Bonds5

About 5-fluoro-2-nitro-N-pentan-2-ylaniline

5-fluoro-2-nitro-N-pentan-2-ylaniline (PubChem CID 62377790) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 5-fluoro-2-nitro-N-pentan-2-ylaniline.

Molecular Properties

Compound Name5-fluoro-2-nitro-N-pentan-2-ylaniline
PubChem CID62377790
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Name5-fluoro-2-nitro-N-pentan-2-ylaniline
SMILESCCCC(C)Nc1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H15FN2O2/c1-3-4-8(2)13-10-7-9(12)5-6-11(10)14(15)16/h5-8,13H,3-4H2,1-2H3
InChIKeyBKRRDZGDYNYGTO-UHFFFAOYSA-N
XLogP3.33
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2-(5-fluoro-2-nitroanilino)pentanoic acid
CID 62373870
4-nitro-3-(pentan-2-ylamino)benzamide
CID 82995572
4-fluoro-N-(5-methylhexan-2-yl)-2-nitroaniline
CID 43685298
3-(5-fluoro-2-nitroanilino)-2-methylbutan-1-ol
CID 113484866
5-fluoro-2-nitro-N-pent-1-yn-3-ylaniline
CID 106231234
5-fluoro-2-nitro-N-propylaniline
CID 50987928
2-chloro-5-fluoro-N-pentan-2-ylaniline
CID 107527281
2-(5-fluoro-2-nitroanilino)-4-methylpentanoic acid
CID 62374033
methyl 2-(5-fluoro-2-nitroanilino)propanoate
CID 62376064
4-fluoro-N-(4-methylsulfonylbutan-2-yl)-2-nitroaniline
CID 133386764
1-N,1-N-diethyl-4-N-(4-fluoro-2-nitrophenyl)pentane-1,4-diamine
CID 115569605
2-N-(4-fluoro-2-nitrophenyl)propane-1,2-diamine
CID 63733393

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-nitro-N-pentan-2-ylaniline?
The IUPAC name of 5-fluoro-2-nitro-N-pentan-2-ylaniline (CID 62377790) is 5-fluoro-2-nitro-N-pentan-2-ylaniline.
What is the SMILES notation for 5-fluoro-2-nitro-N-pentan-2-ylaniline?
The canonical SMILES for 5-fluoro-2-nitro-N-pentan-2-ylaniline is CCCC(C)Nc1cc(F)ccc1[N+](=O)[O-].
What is the InChIKey of 5-fluoro-2-nitro-N-pentan-2-ylaniline?
The InChIKey is BKRRDZGDYNYGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-3-4-8(2)13-10-7-9(12)5-6-11(10)14(15)16/h5-8,13H,3-4H2,1-2H3.
What are the key properties of 5-fluoro-2-nitro-N-pentan-2-ylaniline?
5-fluoro-2-nitro-N-pentan-2-ylaniline has a molecular weight of 226.25 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-nitro-N-pentan-2-ylaniline is sourced from PubChem (CID 62377790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).