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

C14H12F2N2O3 — CID 62367853

IUPAC1-[2-fluoro-6-(4-fluoro-2-nitrophenoxy)phenyl]ethanamine
SMILESCC(N)c1c(F)cccc1Oc1ccc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C14H12F2N2O3/c1-8(17)14-10(16)3-2-4-13(14)21-12-6-5-9(15)7-11(12)18(19)20/h2-8H,17H2,1H3
InChIKeySFGQVKYMYSYWDO-UHFFFAOYSA-N
MW294.26 g/mol
LogP3.68
Rot. Bonds4

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

1-[2-fluoro-6-(4-fluoro-2-nitrophenoxy)phenyl]ethanamine (PubChem CID 62367853) has the molecular formula C14H12F2N2O3 and a molecular weight of 294.26 g/mol. Its IUPAC name is 1-[2-fluoro-6-(4-fluoro-2-nitrophenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name1-[2-fluoro-6-(4-fluoro-2-nitrophenoxy)phenyl]ethanamine
PubChem CID62367853
Molecular FormulaC14H12F2N2O3
Molecular Weight294.26 g/mol
Exact Mass294.08
IUPAC Name1-[2-fluoro-6-(4-fluoro-2-nitrophenoxy)phenyl]ethanamine
SMILESCC(N)c1c(F)cccc1Oc1ccc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C14H12F2N2O3/c1-8(17)14-10(16)3-2-4-13(14)21-12-6-5-9(15)7-11(12)18(19)20/h2-8H,17H2,1H3
InChIKeySFGQVKYMYSYWDO-UHFFFAOYSA-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

(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-[3-fluoro-4-(4-fluoro-2-nitrophenoxy)phenyl]ethanamine
CID 62367686
(1R)-1-[3-fluoro-4-(4-fluoro-2-nitrophenoxy)phenyl]ethanamine
CID 63369894
(1R)-1-[2-fluoro-6-(2-fluoro-4-nitrophenoxy)phenyl]ethanamine
CID 63370027
1-[2-fluoro-6-(3-methyl-4-nitrophenoxy)phenyl]ethanamine
CID 61031032
(1R)-1-[2-(2-chloro-6-nitrophenoxy)-6-fluorophenyl]ethanamine
CID 107717146
1-[5-fluoro-2-(2-nitrophenoxy)phenyl]ethanamine
CID 61032159
(1R)-1-[5-fluoro-2-(2-nitrophenoxy)phenyl]ethanamine
CID 63370153
1-[2-fluoro-6-(4-methyl-2-nitrophenoxy)phenyl]ethanol
CID 61312027
1-(2-fluoro-6-nitrophenyl)ethanamine
CID 55282277
1-[2-fluoro-6-(3-nitrophenoxy)phenyl]ethanamine
CID 61030760

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-6-(4-fluoro-2-nitrophenoxy)phenyl]ethanamine?
The IUPAC name of 1-[2-fluoro-6-(4-fluoro-2-nitrophenoxy)phenyl]ethanamine (CID 62367853) is 1-[2-fluoro-6-(4-fluoro-2-nitrophenoxy)phenyl]ethanamine.
What is the SMILES notation for 1-[2-fluoro-6-(4-fluoro-2-nitrophenoxy)phenyl]ethanamine?
The canonical SMILES for 1-[2-fluoro-6-(4-fluoro-2-nitrophenoxy)phenyl]ethanamine is CC(N)c1c(F)cccc1Oc1ccc(F)cc1[N+](=O)[O-].
What is the InChIKey of 1-[2-fluoro-6-(4-fluoro-2-nitrophenoxy)phenyl]ethanamine?
The InChIKey is SFGQVKYMYSYWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O3/c1-8(17)14-10(16)3-2-4-13(14)21-12-6-5-9(15)7-11(12)18(19)20/h2-8H,17H2,1H3.
What are the key properties of 1-[2-fluoro-6-(4-fluoro-2-nitrophenoxy)phenyl]ethanamine?
1-[2-fluoro-6-(4-fluoro-2-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 1-[2-fluoro-6-(4-fluoro-2-nitrophenoxy)phenyl]ethanamine is sourced from PubChem (CID 62367853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).