(1R)-1-[2-fluoro-6-(2-fluoro-4-nitrophenoxy)phenyl]ethanamine

C14H12F2N2O3 — CID 63370027

IUPAC(1R)-1-[2-fluoro-6-(2-fluoro-4-nitrophenoxy)phenyl]ethanamine
SMILESC[C@@H](N)c1c(F)cccc1Oc1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C14H12F2N2O3/c1-8(17)14-10(15)3-2-4-13(14)21-12-6-5-9(18(19)20)7-11(12)16/h2-8H,17H2,1H3/t8-/m1/s1
InChIKeyXYPACFNLDSQLFH-MRVPVSSYSA-N
MW294.26 g/mol
LogP3.68
Rot. Bonds4

About (1R)-1-[2-fluoro-6-(2-fluoro-4-nitrophenoxy)phenyl]ethanamine

(1R)-1-[2-fluoro-6-(2-fluoro-4-nitrophenoxy)phenyl]ethanamine (PubChem CID 63370027) has the molecular formula C14H12F2N2O3 and a molecular weight of 294.26 g/mol. Its IUPAC name is (1R)-1-[2-fluoro-6-(2-fluoro-4-nitrophenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[2-fluoro-6-(2-fluoro-4-nitrophenoxy)phenyl]ethanamine
PubChem CID63370027
Molecular FormulaC14H12F2N2O3
Molecular Weight294.26 g/mol
Exact Mass294.08
IUPAC Name(1R)-1-[2-fluoro-6-(2-fluoro-4-nitrophenoxy)phenyl]ethanamine
SMILESC[C@@H](N)c1c(F)cccc1Oc1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C14H12F2N2O3/c1-8(17)14-10(15)3-2-4-13(14)21-12-6-5-9(18(19)20)7-11(12)16/h2-8H,17H2,1H3/t8-/m1/s1
InChIKeyXYPACFNLDSQLFH-MRVPVSSYSA-N
XLogP3.68
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.26
LogP ≤ 53.68
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

1-[2-fluoro-6-(3-nitrophenoxy)phenyl]ethanamine
CID 61030760
(1R)-1-[2-fluoro-6-(4-nitrophenoxy)phenyl]ethanamine
CID 63369973
1-[2-fluoro-6-(4-fluoro-2-nitrophenoxy)phenyl]ethanamine
CID 62367853
(1S)-1-[4-(2-fluoro-4-nitrophenoxy)phenyl]ethanamine
CID 63370003
(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-(4-bromo-2-fluorophenoxy)-6-fluorophenyl]ethanamine
CID 43123461
(1S)-1-[2-(2-fluoro-4-nitrophenoxy)phenyl]propan-1-amine
CID 103959346
4-[2-[(1R)-1-aminoethyl]-3-fluorophenoxy]-3-fluorobenzonitrile
CID 107665517
2-fluoro-6-(2-fluoro-4-nitrophenoxy)benzoic acid
CID 79515985
2-(2-fluoro-4-nitrophenoxy)phenol
CID 60869522
1-[3-fluoro-4-(2-fluoro-4-nitrophenoxy)phenyl]ethanol
CID 61038214

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-fluoro-6-(2-fluoro-4-nitrophenoxy)phenyl]ethanamine?
The IUPAC name of (1R)-1-[2-fluoro-6-(2-fluoro-4-nitrophenoxy)phenyl]ethanamine (CID 63370027) is (1R)-1-[2-fluoro-6-(2-fluoro-4-nitrophenoxy)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[2-fluoro-6-(2-fluoro-4-nitrophenoxy)phenyl]ethanamine?
The canonical SMILES for (1R)-1-[2-fluoro-6-(2-fluoro-4-nitrophenoxy)phenyl]ethanamine is C[C@@H](N)c1c(F)cccc1Oc1ccc([N+](=O)[O-])cc1F.
What is the InChIKey of (1R)-1-[2-fluoro-6-(2-fluoro-4-nitrophenoxy)phenyl]ethanamine?
The InChIKey is XYPACFNLDSQLFH-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H12F2N2O3/c1-8(17)14-10(15)3-2-4-13(14)21-12-6-5-9(18(19)20)7-11(12)16/h2-8H,17H2,1H3/t8-/m1/s1.
What are the key properties of (1R)-1-[2-fluoro-6-(2-fluoro-4-nitrophenoxy)phenyl]ethanamine?
(1R)-1-[2-fluoro-6-(2-fluoro-4-nitrophenoxy)phenyl]ethanamine has a molecular weight of 294.26 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-fluoro-6-(2-fluoro-4-nitrophenoxy)phenyl]ethanamine is sourced from PubChem (CID 63370027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).