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

C12H15FN2O3 — CID 103082166

IUPAC2-fluoro-N-(3-methoxycyclopentyl)-4-nitroaniline
SMILESCOC1CCC(Nc2ccc([N+](=O)[O-])cc2F)C1
InChIInChI=1S/C12H15FN2O3/c1-18-10-4-2-8(6-10)14-12-5-3-9(15(16)17)7-11(12)13/h3,5,7-8,10,14H,2,4,6H2,1H3
InChIKeyNBRYPOZNPYEDTM-UHFFFAOYSA-N
MW254.26 g/mol
LogP2.71
Rot. Bonds4

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

2-fluoro-N-(3-methoxycyclopentyl)-4-nitroaniline (PubChem CID 103082166) has the molecular formula C12H15FN2O3 and a molecular weight of 254.26 g/mol. Its IUPAC name is 2-fluoro-N-(3-methoxycyclopentyl)-4-nitroaniline.

Molecular Properties

Compound Name2-fluoro-N-(3-methoxycyclopentyl)-4-nitroaniline
PubChem CID103082166
Molecular FormulaC12H15FN2O3
Molecular Weight254.26 g/mol
Exact Mass254.11
IUPAC Name2-fluoro-N-(3-methoxycyclopentyl)-4-nitroaniline
SMILESCOC1CCC(Nc2ccc([N+](=O)[O-])cc2F)C1
InChIInChI=1S/C12H15FN2O3/c1-18-10-4-2-8(6-10)14-12-5-3-9(15(16)17)7-11(12)13/h3,5,7-8,10,14H,2,4,6H2,1H3
InChIKeyNBRYPOZNPYEDTM-UHFFFAOYSA-N
XLogP2.71
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 52.71
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

3-N-(2-fluoro-4-nitrophenyl)cyclopentane-1,3-diamine
CID 79461374
2-methoxy-N-(3-methoxycyclohexyl)-4-nitroaniline
CID 103826250
3-fluoro-N-(3-methoxycyclopentyl)-2-nitroaniline
CID 103082049
2-chloro-N-(3-methoxycyclohexyl)-4-nitroaniline
CID 103826236
2-fluoro-N-(3-methoxycyclopentyl)-5-nitrobenzamide
CID 103097102
4-ethyl-N-(2-fluoro-4-nitrophenyl)cycloheptan-1-amine
CID 65083703
N-(3-methoxycyclobutyl)-4-nitro-2-(trifluoromethyl)aniline
CID 104576762
2-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)-4-nitroaniline
CID 103742787
2-fluoro-N-(3-methylcyclopentyl)-5-nitroaniline
CID 64501710
5-fluoro-2-[(3-methoxycyclopentyl)amino]benzonitrile
CID 103082053
1-ethyl-N-(2-fluoro-4-nitrophenyl)azepan-4-amine
CID 65073343
N-(2,5-dimethylcyclohexyl)-2-fluoro-4-nitroaniline
CID 64762309

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(3-methoxycyclopentyl)-4-nitroaniline?
The IUPAC name of 2-fluoro-N-(3-methoxycyclopentyl)-4-nitroaniline (CID 103082166) is 2-fluoro-N-(3-methoxycyclopentyl)-4-nitroaniline.
What is the SMILES notation for 2-fluoro-N-(3-methoxycyclopentyl)-4-nitroaniline?
The canonical SMILES for 2-fluoro-N-(3-methoxycyclopentyl)-4-nitroaniline is COC1CCC(Nc2ccc([N+](=O)[O-])cc2F)C1.
What is the InChIKey of 2-fluoro-N-(3-methoxycyclopentyl)-4-nitroaniline?
The InChIKey is NBRYPOZNPYEDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O3/c1-18-10-4-2-8(6-10)14-12-5-3-9(15(16)17)7-11(12)13/h3,5,7-8,10,14H,2,4,6H2,1H3.
What are the key properties of 2-fluoro-N-(3-methoxycyclopentyl)-4-nitroaniline?
2-fluoro-N-(3-methoxycyclopentyl)-4-nitroaniline has a molecular weight of 254.26 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(3-methoxycyclopentyl)-4-nitroaniline is sourced from PubChem (CID 103082166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).