2,3-difluoro-N-(3-methoxy-2-methylpropyl)-6-nitroaniline

C11H14F2N2O3 — CID 62531449

IUPAC2,3-difluoro-N-(3-methoxy-2-methylpropyl)-6-nitroaniline
SMILESCOCC(C)CNc1c([N+](=O)[O-])ccc(F)c1F
InChIInChI=1S/C11H14F2N2O3/c1-7(6-18-2)5-14-11-9(15(16)17)4-3-8(12)10(11)13/h3-4,7,14H,5-6H2,1-2H3
InChIKeyVCFAOIGLJCQURY-UHFFFAOYSA-N
MW260.24 g/mol
LogP2.57
Rot. Bonds6

About 2,3-difluoro-N-(3-methoxy-2-methylpropyl)-6-nitroaniline

2,3-difluoro-N-(3-methoxy-2-methylpropyl)-6-nitroaniline (PubChem CID 62531449) has the molecular formula C11H14F2N2O3 and a molecular weight of 260.24 g/mol. Its IUPAC name is 2,3-difluoro-N-(3-methoxy-2-methylpropyl)-6-nitroaniline.

Molecular Properties

Compound Name2,3-difluoro-N-(3-methoxy-2-methylpropyl)-6-nitroaniline
PubChem CID62531449
Molecular FormulaC11H14F2N2O3
Molecular Weight260.24 g/mol
Exact Mass260.10
IUPAC Name2,3-difluoro-N-(3-methoxy-2-methylpropyl)-6-nitroaniline
SMILESCOCC(C)CNc1c([N+](=O)[O-])ccc(F)c1F
InChIInChI=1S/C11H14F2N2O3/c1-7(6-18-2)5-14-11-9(15(16)17)4-3-8(12)10(11)13/h3-4,7,14H,5-6H2,1-2H3
InChIKeyVCFAOIGLJCQURY-UHFFFAOYSA-N
XLogP2.57
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 52.57
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-amino-4-(2,3-difluoro-6-nitroanilino)butan-2-ol
CID 64540429
1-(2,3-difluoro-6-nitroanilino)-4,4-dimethylpentan-2-ol
CID 107153103
1-(3-chloro-2-fluoro-6-nitroanilino)-3-methoxypropan-2-ol
CID 114271190
3-(2,3-difluoro-6-nitroanilino)-2-hydroxypropanamide
CID 114153466
N-(2,2-dimethylbutyl)-2,3-difluoro-6-nitroaniline
CID 103462610
2-[2-(2,3-difluoro-6-nitroanilino)ethoxy]acetamide
CID 106239487
N-[(2-fluoro-3-nitrophenyl)methyl]-3-methoxy-2-methylpropan-1-amine
CID 107349107
2-bromo-6-fluoro-N-(3-methoxy-2-methylpropyl)aniline
CID 107598486
N-[2-(2,3-difluoro-6-nitroanilino)ethyl]methanesulfonamide
CID 55086018
3-(2,3-difluoro-6-nitroanilino)-2,2-dimethylpropanoic acid
CID 115427624
4-(2,3-difluoro-6-nitroanilino)butan-1-ol
CID 106842471
N-(2,3-difluoro-6-nitrophenyl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 55098004

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-(3-methoxy-2-methylpropyl)-6-nitroaniline?
The IUPAC name of 2,3-difluoro-N-(3-methoxy-2-methylpropyl)-6-nitroaniline (CID 62531449) is 2,3-difluoro-N-(3-methoxy-2-methylpropyl)-6-nitroaniline.
What is the SMILES notation for 2,3-difluoro-N-(3-methoxy-2-methylpropyl)-6-nitroaniline?
The canonical SMILES for 2,3-difluoro-N-(3-methoxy-2-methylpropyl)-6-nitroaniline is COCC(C)CNc1c([N+](=O)[O-])ccc(F)c1F.
What is the InChIKey of 2,3-difluoro-N-(3-methoxy-2-methylpropyl)-6-nitroaniline?
The InChIKey is VCFAOIGLJCQURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O3/c1-7(6-18-2)5-14-11-9(15(16)17)4-3-8(12)10(11)13/h3-4,7,14H,5-6H2,1-2H3.
What are the key properties of 2,3-difluoro-N-(3-methoxy-2-methylpropyl)-6-nitroaniline?
2,3-difluoro-N-(3-methoxy-2-methylpropyl)-6-nitroaniline has a molecular weight of 260.24 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-(3-methoxy-2-methylpropyl)-6-nitroaniline is sourced from PubChem (CID 62531449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).