(3,4-difluorophenyl)-(5-nitrofuran-2-yl)methanamine

C11H8F2N2O3 — CID 43384377

IUPAC(3,4-difluorophenyl)-(5-nitrofuran-2-yl)methanamine
SMILESNC(c1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C11H8F2N2O3/c12-7-2-1-6(5-8(7)13)11(14)9-3-4-10(18-9)15(16)17/h1-5,11H,14H2
InChIKeyMMCOSYBLITZQFE-UHFFFAOYSA-N
MW254.19 g/mol
LogP2.51
Rot. Bonds3

About (3,4-difluorophenyl)-(5-nitrofuran-2-yl)methanamine

(3,4-difluorophenyl)-(5-nitrofuran-2-yl)methanamine (PubChem CID 43384377) has the molecular formula C11H8F2N2O3 and a molecular weight of 254.19 g/mol. Its IUPAC name is (3,4-difluorophenyl)-(5-nitrofuran-2-yl)methanamine.

Molecular Properties

Compound Name(3,4-difluorophenyl)-(5-nitrofuran-2-yl)methanamine
PubChem CID43384377
Molecular FormulaC11H8F2N2O3
Molecular Weight254.19 g/mol
Exact Mass254.05
IUPAC Name(3,4-difluorophenyl)-(5-nitrofuran-2-yl)methanamine
SMILESNC(c1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C11H8F2N2O3/c12-7-2-1-6(5-8(7)13)11(14)9-3-4-10(18-9)15(16)17/h1-5,11H,14H2
InChIKeyMMCOSYBLITZQFE-UHFFFAOYSA-N
XLogP2.51
TPSA82.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.19
LogP ≤ 52.51
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 (3,4-difluorophenyl)-(5-nitrofuran-2-yl)methanamine?
The IUPAC name of (3,4-difluorophenyl)-(5-nitrofuran-2-yl)methanamine (CID 43384377) is (3,4-difluorophenyl)-(5-nitrofuran-2-yl)methanamine.
What is the SMILES notation for (3,4-difluorophenyl)-(5-nitrofuran-2-yl)methanamine?
The canonical SMILES for (3,4-difluorophenyl)-(5-nitrofuran-2-yl)methanamine is NC(c1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of (3,4-difluorophenyl)-(5-nitrofuran-2-yl)methanamine?
The InChIKey is MMCOSYBLITZQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N2O3/c12-7-2-1-6(5-8(7)13)11(14)9-3-4-10(18-9)15(16)17/h1-5,11H,14H2.
What are the key properties of (3,4-difluorophenyl)-(5-nitrofuran-2-yl)methanamine?
(3,4-difluorophenyl)-(5-nitrofuran-2-yl)methanamine has a molecular weight of 254.19 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-(5-nitrofuran-2-yl)methanamine is sourced from PubChem (CID 43384377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).