N,2-difluoro-N-methyl-6-nitroaniline

C7H6F2N2O2 — CID 174676085

IUPACN,2-difluoro-N-methyl-6-nitroaniline
SMILESCN(F)c1c(F)cccc1[N+](=O)[O-]
InChIInChI=1S/C7H6F2N2O2/c1-10(9)7-5(8)3-2-4-6(7)11(12)13/h2-4H,1H3
InChIKeyZOLWLRTUTVEFDF-UHFFFAOYSA-N
MW188.13 g/mol
LogP2.05
Rot. Bonds2

About N,2-difluoro-N-methyl-6-nitroaniline

N,2-difluoro-N-methyl-6-nitroaniline (PubChem CID 174676085) has the molecular formula C7H6F2N2O2 and a molecular weight of 188.13 g/mol. Its IUPAC name is N,2-difluoro-N-methyl-6-nitroaniline.

Molecular Properties

Compound NameN,2-difluoro-N-methyl-6-nitroaniline
PubChem CID174676085
Molecular FormulaC7H6F2N2O2
Molecular Weight188.13 g/mol
Exact Mass188.04
IUPAC NameN,2-difluoro-N-methyl-6-nitroaniline
SMILESCN(F)c1c(F)cccc1[N+](=O)[O-]
InChIInChI=1S/C7H6F2N2O2/c1-10(9)7-5(8)3-2-4-6(7)11(12)13/h2-4H,1H3
InChIKeyZOLWLRTUTVEFDF-UHFFFAOYSA-N
XLogP2.05
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.13
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-fluoro-6-nitrophenyl)-N-methylmethanesulfonamide
CID 163387289
tert-butyl N-(2-fluoro-6-nitrophenyl)-N-methylcarbamate
CID 171544361
1-(2-fluoro-6-nitrophenyl)ethanamine
CID 55282277
(E)-2-(2-fluoro-6-nitrophenyl)-N,N-dimethylethenamine
CID 23248110
2-chloro-1-(18F)fluoro-3-nitrobenzene
CID 151209633
2-fluoro-N,N-dimethyl-3-nitroaniline
CID 131699647
N,N-dimethyl-2-nitro-6-(trifluoromethyl)aniline
CID 164822565
2-fluoro-6-nitroaniline;hydrochloride
CID 169225840
N-(2-fluoro-6-nitrophenyl)-N-propylazetidin-3-amine
CID 112740791
4-[(2-fluoro-6-nitrophenyl)methyl-methylamino]butan-2-ol
CID 111488546
2-[2-fluoro-N-[(2-methylpropan-2-yl)oxycarbonyl]-6-nitroanilino]acetic acid
CID 67836353
N-[1-(2,6-difluorophenyl)ethyl]-2-fluoro-6-nitroaniline
CID 81306465

Frequently Asked Questions

What is the IUPAC name of N,2-difluoro-N-methyl-6-nitroaniline?
The IUPAC name of N,2-difluoro-N-methyl-6-nitroaniline (CID 174676085) is N,2-difluoro-N-methyl-6-nitroaniline.
What is the SMILES notation for N,2-difluoro-N-methyl-6-nitroaniline?
The canonical SMILES for N,2-difluoro-N-methyl-6-nitroaniline is CN(F)c1c(F)cccc1[N+](=O)[O-].
What is the InChIKey of N,2-difluoro-N-methyl-6-nitroaniline?
The InChIKey is ZOLWLRTUTVEFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2N2O2/c1-10(9)7-5(8)3-2-4-6(7)11(12)13/h2-4H,1H3.
What are the key properties of N,2-difluoro-N-methyl-6-nitroaniline?
N,2-difluoro-N-methyl-6-nitroaniline has a molecular weight of 188.13 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-difluoro-N-methyl-6-nitroaniline is sourced from PubChem (CID 174676085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).