(1R)-1-(2,6-difluoro-3-nitrophenyl)ethanamine

C8H8F2N2O2 — CID 130623975

IUPAC(1R)-1-(2,6-difluoro-3-nitrophenyl)ethanamine
SMILESC[C@@H](N)c1c(F)ccc([N+](=O)[O-])c1F
InChIInChI=1S/C8H8F2N2O2/c1-4(11)7-5(9)2-3-6(8(7)10)12(13)14/h2-4H,11H2,1H3/t4-/m1/s1
InChIKeyRTRZOHBNAGVNOB-SCSAIBSYSA-N
MW202.16 g/mol
LogP1.89
Rot. Bonds2

About (1R)-1-(2,6-difluoro-3-nitrophenyl)ethanamine

(1R)-1-(2,6-difluoro-3-nitrophenyl)ethanamine (PubChem CID 130623975) has the molecular formula C8H8F2N2O2 and a molecular weight of 202.16 g/mol. Its IUPAC name is (1R)-1-(2,6-difluoro-3-nitrophenyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(2,6-difluoro-3-nitrophenyl)ethanamine
PubChem CID130623975
Molecular FormulaC8H8F2N2O2
Molecular Weight202.16 g/mol
Exact Mass202.06
IUPAC Name(1R)-1-(2,6-difluoro-3-nitrophenyl)ethanamine
SMILESC[C@@H](N)c1c(F)ccc([N+](=O)[O-])c1F
InChIInChI=1S/C8H8F2N2O2/c1-4(11)7-5(9)2-3-6(8(7)10)12(13)14/h2-4H,11H2,1H3/t4-/m1/s1
InChIKeyRTRZOHBNAGVNOB-SCSAIBSYSA-N
XLogP1.89
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.16
LogP ≤ 51.89
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'}

Analyze (1R)-1-(2,6-difluoro-3-nitrophenyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-chloroethyl)-1,3-difluoro-4-nitrobenzene
CID 130153736
1-(2-fluoro-6-nitrophenyl)ethanamine
CID 55282277
2-(2,6-difluoro-3-nitrophenyl)propanoic acid
CID 57371352
1-(4-fluoro-3-nitrophenyl)ethanamine
CID 55283100
(1S)-1-[2-fluoro-6-(5-methyl-2-nitrophenoxy)phenyl]ethanamine
CID 78937798
1-[2-fluoro-6-(5-methyl-2-nitrophenoxy)phenyl]ethanamine
CID 61030650
1-(2,3-difluoro-6-nitrophenyl)prop-2-en-1-amine
CID 23221392
1-[2-fluoro-6-(3-methyl-4-nitrophenoxy)phenyl]ethanamine
CID 61031032
1-[2-fluoro-6-(4-fluoro-2-nitrophenoxy)phenyl]ethanamine
CID 62367853
(1R)-1-(3-chloro-2,6-difluorophenyl)ethanamine
CID 130707834
1,3-difluoro-2-(2-methylpropoxy)-4-nitrobenzene
CID 125116639
(1R)-1-[2-(2-chloro-6-nitrophenoxy)-6-fluorophenyl]ethanamine
CID 107717146

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,6-difluoro-3-nitrophenyl)ethanamine?
The IUPAC name of (1R)-1-(2,6-difluoro-3-nitrophenyl)ethanamine (CID 130623975) is (1R)-1-(2,6-difluoro-3-nitrophenyl)ethanamine.
What is the SMILES notation for (1R)-1-(2,6-difluoro-3-nitrophenyl)ethanamine?
The canonical SMILES for (1R)-1-(2,6-difluoro-3-nitrophenyl)ethanamine is C[C@@H](N)c1c(F)ccc([N+](=O)[O-])c1F.
What is the InChIKey of (1R)-1-(2,6-difluoro-3-nitrophenyl)ethanamine?
The InChIKey is RTRZOHBNAGVNOB-SCSAIBSYSA-N. The full InChI is InChI=1S/C8H8F2N2O2/c1-4(11)7-5(9)2-3-6(8(7)10)12(13)14/h2-4H,11H2,1H3/t4-/m1/s1.
What are the key properties of (1R)-1-(2,6-difluoro-3-nitrophenyl)ethanamine?
(1R)-1-(2,6-difluoro-3-nitrophenyl)ethanamine has a molecular weight of 202.16 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,6-difluoro-3-nitrophenyl)ethanamine is sourced from PubChem (CID 130623975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).