N-(dicyclopropylmethyl)-2-fluoro-6-nitroaniline

C13H15FN2O2 — CID 81309811

IUPACN-(dicyclopropylmethyl)-2-fluoro-6-nitroaniline
SMILESO=[N+]([O-])c1cccc(F)c1NC(C1CC1)C1CC1
InChIInChI=1S/C13H15FN2O2/c14-10-2-1-3-11(16(17)18)13(10)15-12(8-4-5-8)9-6-7-9/h1-3,8-9,12,15H,4-7H2
InChIKeyWUUIOUGNJWHCCI-UHFFFAOYSA-N
MW250.27 g/mol
LogP3.33
Rot. Bonds5

About N-(dicyclopropylmethyl)-2-fluoro-6-nitroaniline

N-(dicyclopropylmethyl)-2-fluoro-6-nitroaniline (PubChem CID 81309811) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-2-fluoro-6-nitroaniline.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-2-fluoro-6-nitroaniline
PubChem CID81309811
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC NameN-(dicyclopropylmethyl)-2-fluoro-6-nitroaniline
SMILESO=[N+]([O-])c1cccc(F)c1NC(C1CC1)C1CC1
InChIInChI=1S/C13H15FN2O2/c14-10-2-1-3-11(16(17)18)13(10)15-12(8-4-5-8)9-6-7-9/h1-3,8-9,12,15H,4-7H2
InChIKeyWUUIOUGNJWHCCI-UHFFFAOYSA-N
XLogP3.33
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 53.33
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-(1-cyclopentylethyl)-2-fluoro-6-nitroaniline
CID 81310002
N-[1-(2,6-difluorophenyl)ethyl]-2-fluoro-6-nitroaniline
CID 81306465
(2-fluoro-6-nitrophenyl)hydrazine
CID 81310893
3-(2-fluoro-6-nitroanilino)-2-methylbutan-2-ol
CID 81310688
N-(2-fluoro-6-nitrophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 81305631
2-fluoro-N-(1-methoxybutan-2-yl)-6-nitroaniline
CID 81310423
N-(2-fluoro-6-nitrophenyl)oxepan-4-amine
CID 81310438
2-fluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]-6-nitroaniline
CID 81306227
N-(2-fluoro-6-nitrophenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 81310161
1-cyclopropyl-N-(2-fluoro-6-nitrophenyl)pyrrolidin-3-amine
CID 81309720
2-fluoro-6-nitro-N-(piperidin-4-ylmethyl)aniline;hydrochloride
CID 53255927
2-[1-(2-fluoro-6-nitroanilino)propyl]phenol
CID 81306740

Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-2-fluoro-6-nitroaniline?
The IUPAC name of N-(dicyclopropylmethyl)-2-fluoro-6-nitroaniline (CID 81309811) is N-(dicyclopropylmethyl)-2-fluoro-6-nitroaniline.
What is the SMILES notation for N-(dicyclopropylmethyl)-2-fluoro-6-nitroaniline?
The canonical SMILES for N-(dicyclopropylmethyl)-2-fluoro-6-nitroaniline is O=[N+]([O-])c1cccc(F)c1NC(C1CC1)C1CC1.
What is the InChIKey of N-(dicyclopropylmethyl)-2-fluoro-6-nitroaniline?
The InChIKey is WUUIOUGNJWHCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c14-10-2-1-3-11(16(17)18)13(10)15-12(8-4-5-8)9-6-7-9/h1-3,8-9,12,15H,4-7H2.
What are the key properties of N-(dicyclopropylmethyl)-2-fluoro-6-nitroaniline?
N-(dicyclopropylmethyl)-2-fluoro-6-nitroaniline has a molecular weight of 250.27 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-2-fluoro-6-nitroaniline is sourced from PubChem (CID 81309811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).