4-fluoro-N-(2-methoxycyclohexyl)-3-nitroaniline

C13H17FN2O3 — CID 43785721

IUPAC4-fluoro-N-(2-methoxycyclohexyl)-3-nitroaniline
SMILESCOC1CCCCC1Nc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C13H17FN2O3/c1-19-13-5-3-2-4-11(13)15-9-6-7-10(14)12(8-9)16(17)18/h6-8,11,13,15H,2-5H2,1H3
InChIKeyOZOSWINYOKSXAF-UHFFFAOYSA-N
MW268.29 g/mol
LogP3.10
Rot. Bonds4

About 4-fluoro-N-(2-methoxycyclohexyl)-3-nitroaniline

4-fluoro-N-(2-methoxycyclohexyl)-3-nitroaniline (PubChem CID 43785721) has the molecular formula C13H17FN2O3 and a molecular weight of 268.29 g/mol. Its IUPAC name is 4-fluoro-N-(2-methoxycyclohexyl)-3-nitroaniline.

Molecular Properties

Compound Name4-fluoro-N-(2-methoxycyclohexyl)-3-nitroaniline
PubChem CID43785721
Molecular FormulaC13H17FN2O3
Molecular Weight268.29 g/mol
Exact Mass268.12
IUPAC Name4-fluoro-N-(2-methoxycyclohexyl)-3-nitroaniline
SMILESCOC1CCCCC1Nc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C13H17FN2O3/c1-19-13-5-3-2-4-11(13)15-9-6-7-10(14)12(8-9)16(17)18/h6-8,11,13,15H,2-5H2,1H3
InChIKeyOZOSWINYOKSXAF-UHFFFAOYSA-N
XLogP3.10
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 53.10
H-Bond Donors ≤ 51
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-chloro-N-(2-methoxycyclohexyl)-3-nitroaniline
CID 43785754
3,4-difluoro-N-(2-methoxycyclohexyl)aniline
CID 43761652
N-(2-methoxycyclopentyl)-4-nitroaniline
CID 62086642
4-fluoro-N-(2-methoxycyclopentyl)-5-methyl-2-nitroaniline
CID 103591652
4-fluoro-5-[(2-methoxycyclopentyl)amino]-2-nitrobenzoic acid
CID 62087189
4-fluoro-N-methoxy-3-nitroaniline
CID 154020303
2,5-difluoro-N-(2-methoxycyclopentyl)-4-nitrobenzamide
CID 104699356
N-(4-fluoro-3-nitrophenyl)-1,1-dioxothian-4-amine
CID 43719371
N-(4-fluoro-3-nitrophenyl)thian-4-amine
CID 43719372
4-fluoro-N-methyl-3-nitroaniline
CID 63089505
2,4,5-trifluoro-N-(2-methoxycyclohexyl)aniline
CID 62815537
N-(4-fluoro-3-nitrophenyl)-1,1-dioxothiolan-3-amine
CID 60708678

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-methoxycyclohexyl)-3-nitroaniline?
The IUPAC name of 4-fluoro-N-(2-methoxycyclohexyl)-3-nitroaniline (CID 43785721) is 4-fluoro-N-(2-methoxycyclohexyl)-3-nitroaniline.
What is the SMILES notation for 4-fluoro-N-(2-methoxycyclohexyl)-3-nitroaniline?
The canonical SMILES for 4-fluoro-N-(2-methoxycyclohexyl)-3-nitroaniline is COC1CCCCC1Nc1ccc(F)c([N+](=O)[O-])c1.
What is the InChIKey of 4-fluoro-N-(2-methoxycyclohexyl)-3-nitroaniline?
The InChIKey is OZOSWINYOKSXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3/c1-19-13-5-3-2-4-11(13)15-9-6-7-10(14)12(8-9)16(17)18/h6-8,11,13,15H,2-5H2,1H3.
What are the key properties of 4-fluoro-N-(2-methoxycyclohexyl)-3-nitroaniline?
4-fluoro-N-(2-methoxycyclohexyl)-3-nitroaniline has a molecular weight of 268.29 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-methoxycyclohexyl)-3-nitroaniline is sourced from PubChem (CID 43785721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).