1-(2,4-difluorophenyl)-N-methyl-1-(5-nitrofuran-2-yl)methanamine

C12H10F2N2O3 — CID 43484062

IUPAC1-(2,4-difluorophenyl)-N-methyl-1-(5-nitrofuran-2-yl)methanamine
SMILESCNC(c1ccc([N+](=O)[O-])o1)c1ccc(F)cc1F
InChIInChI=1S/C12H10F2N2O3/c1-15-12(8-3-2-7(13)6-9(8)14)10-4-5-11(19-10)16(17)18/h2-6,12,15H,1H3
InChIKeyVXOHVXJTWHQHIC-UHFFFAOYSA-N
MW268.22 g/mol
LogP2.77
Rot. Bonds4

About 1-(2,4-difluorophenyl)-N-methyl-1-(5-nitrofuran-2-yl)methanamine

1-(2,4-difluorophenyl)-N-methyl-1-(5-nitrofuran-2-yl)methanamine (PubChem CID 43484062) has the molecular formula C12H10F2N2O3 and a molecular weight of 268.22 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-methyl-1-(5-nitrofuran-2-yl)methanamine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-methyl-1-(5-nitrofuran-2-yl)methanamine
PubChem CID43484062
Molecular FormulaC12H10F2N2O3
Molecular Weight268.22 g/mol
Exact Mass268.07
IUPAC Name1-(2,4-difluorophenyl)-N-methyl-1-(5-nitrofuran-2-yl)methanamine
SMILESCNC(c1ccc([N+](=O)[O-])o1)c1ccc(F)cc1F
InChIInChI=1S/C12H10F2N2O3/c1-15-12(8-3-2-7(13)6-9(8)14)10-4-5-11(19-10)16(17)18/h2-6,12,15H,1H3
InChIKeyVXOHVXJTWHQHIC-UHFFFAOYSA-N
XLogP2.77
TPSA68.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.22
LogP ≤ 52.77
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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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N-methyl-1-(5-nitrofuran-2-yl)methanamine?
The IUPAC name of 1-(2,4-difluorophenyl)-N-methyl-1-(5-nitrofuran-2-yl)methanamine (CID 43484062) is 1-(2,4-difluorophenyl)-N-methyl-1-(5-nitrofuran-2-yl)methanamine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-methyl-1-(5-nitrofuran-2-yl)methanamine?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-methyl-1-(5-nitrofuran-2-yl)methanamine is CNC(c1ccc([N+](=O)[O-])o1)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-methyl-1-(5-nitrofuran-2-yl)methanamine?
The InChIKey is VXOHVXJTWHQHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O3/c1-15-12(8-3-2-7(13)6-9(8)14)10-4-5-11(19-10)16(17)18/h2-6,12,15H,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-N-methyl-1-(5-nitrofuran-2-yl)methanamine?
1-(2,4-difluorophenyl)-N-methyl-1-(5-nitrofuran-2-yl)methanamine has a molecular weight of 268.22 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N-methyl-1-(5-nitrofuran-2-yl)methanamine is sourced from PubChem (CID 43484062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).