N-cyclopentyl-5-fluoro-2-nitroaniline

C11H13FN2O2 — CID 62376758

IUPACN-cyclopentyl-5-fluoro-2-nitroaniline
SMILESO=[N+]([O-])c1ccc(F)cc1NC1CCCC1
InChIInChI=1S/C11H13FN2O2/c12-8-5-6-11(14(15)16)10(7-8)13-9-3-1-2-4-9/h5-7,9,13H,1-4H2
InChIKeyUIVSDNDIJOYWAU-UHFFFAOYSA-N
MW224.23 g/mol
LogP3.09
Rot. Bonds3

About N-cyclopentyl-5-fluoro-2-nitroaniline

N-cyclopentyl-5-fluoro-2-nitroaniline (PubChem CID 62376758) has the molecular formula C11H13FN2O2 and a molecular weight of 224.23 g/mol. Its IUPAC name is N-cyclopentyl-5-fluoro-2-nitroaniline.

Molecular Properties

Compound NameN-cyclopentyl-5-fluoro-2-nitroaniline
PubChem CID62376758
Molecular FormulaC11H13FN2O2
Molecular Weight224.23 g/mol
Exact Mass224.10
IUPAC NameN-cyclopentyl-5-fluoro-2-nitroaniline
SMILESO=[N+]([O-])c1ccc(F)cc1NC1CCCC1
InChIInChI=1S/C11H13FN2O2/c12-8-5-6-11(14(15)16)10(7-8)13-9-3-1-2-4-9/h5-7,9,13H,1-4H2
InChIKeyUIVSDNDIJOYWAU-UHFFFAOYSA-N
XLogP3.09
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 53.09
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

N-cyclohexyl-4-fluoro-2-nitroaniline
CID 12793832
N-(5-fluoro-2-nitrophenyl)spiro[4.5]decan-8-amine
CID 114817805
N-(5-chloro-2-nitrophenyl)cycloheptanamine
CID 22922481
5-(5-fluoro-2-nitroanilino)-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-one
CID 18549079
N-(5-fluoro-2-nitrophenyl)-1-propylpiperidin-4-amine
CID 62375924
N-(5-fluoro-2-nitrophenyl)-2-methylpiperidin-4-amine
CID 106996155
N-(5-fluoro-2-nitrophenyl)cyclopentanecarboxamide
CID 110461317
N-(4-fluoro-2-nitrophenyl)-4,4-dimethylcycloheptan-1-amine
CID 65083848
N-(4-fluoro-2-nitrophenyl)azepan-4-amine
CID 103981106
N-(3-ethylsulfanylcyclopentyl)-5-fluoro-2-nitroaniline
CID 107302339
tert-butyl N-[3-(5-fluoro-2-nitroanilino)cyclohexyl]carbamate
CID 113268191
3-(cyclohexylamino)-4-nitrobenzamide
CID 82994813

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-fluoro-2-nitroaniline?
The IUPAC name of N-cyclopentyl-5-fluoro-2-nitroaniline (CID 62376758) is N-cyclopentyl-5-fluoro-2-nitroaniline.
What is the SMILES notation for N-cyclopentyl-5-fluoro-2-nitroaniline?
The canonical SMILES for N-cyclopentyl-5-fluoro-2-nitroaniline is O=[N+]([O-])c1ccc(F)cc1NC1CCCC1.
What is the InChIKey of N-cyclopentyl-5-fluoro-2-nitroaniline?
The InChIKey is UIVSDNDIJOYWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O2/c12-8-5-6-11(14(15)16)10(7-8)13-9-3-1-2-4-9/h5-7,9,13H,1-4H2.
What are the key properties of N-cyclopentyl-5-fluoro-2-nitroaniline?
N-cyclopentyl-5-fluoro-2-nitroaniline has a molecular weight of 224.23 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-fluoro-2-nitroaniline is sourced from PubChem (CID 62376758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).