N-cyclohexyl-4-fluoro-2-nitroaniline

C12H15FN2O2 — CID 12793832

IUPACN-cyclohexyl-4-fluoro-2-nitroaniline
SMILESO=[N+]([O-])c1cc(F)ccc1NC1CCCCC1
InChIInChI=1S/C12H15FN2O2/c13-9-6-7-11(12(8-9)15(16)17)14-10-4-2-1-3-5-10/h6-8,10,14H,1-5H2
InChIKeyHSCZHAFNUPEGEV-UHFFFAOYSA-N
MW238.26 g/mol
LogP3.48
Rot. Bonds3

About N-cyclohexyl-4-fluoro-2-nitroaniline

N-cyclohexyl-4-fluoro-2-nitroaniline (PubChem CID 12793832) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is N-cyclohexyl-4-fluoro-2-nitroaniline.

Molecular Properties

Compound NameN-cyclohexyl-4-fluoro-2-nitroaniline
PubChem CID12793832
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC NameN-cyclohexyl-4-fluoro-2-nitroaniline
SMILESO=[N+]([O-])c1cc(F)ccc1NC1CCCCC1
InChIInChI=1S/C12H15FN2O2/c13-9-6-7-11(12(8-9)15(16)17)14-10-4-2-1-3-5-10/h6-8,10,14H,1-5H2
InChIKeyHSCZHAFNUPEGEV-UHFFFAOYSA-N
XLogP3.48
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 53.48
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-(4-fluoro-2-nitrophenyl)-4,4-dimethylcycloheptan-1-amine
CID 65083848
N-(4-fluoro-2-nitrophenyl)azepan-4-amine
CID 103981106
N-cyclopentyl-5-fluoro-2-nitroaniline
CID 62376758
N-(2,4-dinitrophenyl)cycloheptanamine
CID 9283016
1-N-(4-fluoro-2-nitrophenyl)cyclobutane-1,3-diamine
CID 43599343
N-(4-fluoro-2-nitrophenyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 43685316
4-fluoro-2-nitro-N-(3,3,5,5-tetramethylcyclohexyl)aniline
CID 115998709
(3R)-N-(4-fluoro-2-nitrophenyl)-1-methylsulfonylpiperidin-3-amine
CID 94825818
N-cyclohexyl-4-(cyclohexylamino)-3-nitrobenzamide
CID 2959407
4-(cyclohexylamino)-N-methyl-3-nitrobenzenesulfonamide
CID 9186979
N-cyclobutyl-4-iodo-2-nitroaniline
CID 63713876
N-cyclohexyl-4-(2,5-dimethylpyrrol-1-yl)-2-nitroaniline
CID 2894670

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-fluoro-2-nitroaniline?
The IUPAC name of N-cyclohexyl-4-fluoro-2-nitroaniline (CID 12793832) is N-cyclohexyl-4-fluoro-2-nitroaniline.
What is the SMILES notation for N-cyclohexyl-4-fluoro-2-nitroaniline?
The canonical SMILES for N-cyclohexyl-4-fluoro-2-nitroaniline is O=[N+]([O-])c1cc(F)ccc1NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-4-fluoro-2-nitroaniline?
The InChIKey is HSCZHAFNUPEGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c13-9-6-7-11(12(8-9)15(16)17)14-10-4-2-1-3-5-10/h6-8,10,14H,1-5H2.
What are the key properties of N-cyclohexyl-4-fluoro-2-nitroaniline?
N-cyclohexyl-4-fluoro-2-nitroaniline has a molecular weight of 238.26 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-fluoro-2-nitroaniline is sourced from PubChem (CID 12793832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).