2-fluoro-5-nitro-N-pentylaniline

C11H15FN2O2 — CID 43718990

IUPAC2-fluoro-5-nitro-N-pentylaniline
SMILESCCCCCNc1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C11H15FN2O2/c1-2-3-4-7-13-11-8-9(14(15)16)5-6-10(11)12/h5-6,8,13H,2-4,7H2,1H3
InChIKeyJZYFJGABTSFCGK-UHFFFAOYSA-N
MW226.25 g/mol
LogP3.34
Rot. Bonds6

About 2-fluoro-5-nitro-N-pentylaniline

2-fluoro-5-nitro-N-pentylaniline (PubChem CID 43718990) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 2-fluoro-5-nitro-N-pentylaniline.

Molecular Properties

Compound Name2-fluoro-5-nitro-N-pentylaniline
PubChem CID43718990
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Name2-fluoro-5-nitro-N-pentylaniline
SMILESCCCCCNc1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C11H15FN2O2/c1-2-3-4-7-13-11-8-9(14(15)16)5-6-10(11)12/h5-6,8,13H,2-4,7H2,1H3
InChIKeyJZYFJGABTSFCGK-UHFFFAOYSA-N
XLogP3.34
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-heptyl-2-methyl-5-nitroaniline
CID 43718518
2-methyl-5-nitro-N-octylaniline
CID 43718449
4-(2-fluoro-5-nitroanilino)butanoic acid
CID 18073180
4-nitro-2-(pentylamino)benzenesulfonamide
CID 133462528
N-(2-fluoro-5-nitrophenyl)butanamide
CID 909497
2-iodo-4-nitro-N-octylaniline
CID 115568882
5-nitro-2-(pentylamino)benzoic acid
CID 29269659
1-N-butyl-4-nitrobenzene-1,2-diamine
CID 15327518
2,5-difluoro-N-hexylaniline
CID 28877091
N-ethyl-N'-(2-fluoro-4-nitrophenyl)propane-1,3-diamine
CID 54906818
3,5-difluoro-2-nitro-N-pentylaniline
CID 113325497
N-butyl-2-ethylsulfonyl-4-nitroaniline
CID 165086267

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-nitro-N-pentylaniline?
The IUPAC name of 2-fluoro-5-nitro-N-pentylaniline (CID 43718990) is 2-fluoro-5-nitro-N-pentylaniline.
What is the SMILES notation for 2-fluoro-5-nitro-N-pentylaniline?
The canonical SMILES for 2-fluoro-5-nitro-N-pentylaniline is CCCCCNc1cc([N+](=O)[O-])ccc1F.
What is the InChIKey of 2-fluoro-5-nitro-N-pentylaniline?
The InChIKey is JZYFJGABTSFCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-2-3-4-7-13-11-8-9(14(15)16)5-6-10(11)12/h5-6,8,13H,2-4,7H2,1H3.
What are the key properties of 2-fluoro-5-nitro-N-pentylaniline?
2-fluoro-5-nitro-N-pentylaniline has a molecular weight of 226.25 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-nitro-N-pentylaniline is sourced from PubChem (CID 43718990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).