N-[[2-[(2-fluorophenyl)methyl]-3-nitrophenyl]methylidene]hydroxylamine

C14H11FN2O3 — CID 154216474

IUPACN-[[2-[(2-fluorophenyl)methyl]-3-nitrophenyl]methylidene]hydroxylamine
SMILESO=[N+]([O-])c1cccc(C=NO)c1Cc1ccccc1F
InChIInChI=1S/C14H11FN2O3/c15-13-6-2-1-4-10(13)8-12-11(9-16-18)5-3-7-14(12)17(19)20/h1-7,9,18H,8H2
InChIKeyDBKFYHRERYBLGU-UHFFFAOYSA-N
MW274.25 g/mol
LogP3.13
Rot. Bonds4

About N-[[2-[(2-fluorophenyl)methyl]-3-nitrophenyl]methylidene]hydroxylamine

N-[[2-[(2-fluorophenyl)methyl]-3-nitrophenyl]methylidene]hydroxylamine (PubChem CID 154216474) has the molecular formula C14H11FN2O3 and a molecular weight of 274.25 g/mol. Its IUPAC name is N-[[2-[(2-fluorophenyl)methyl]-3-nitrophenyl]methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[2-[(2-fluorophenyl)methyl]-3-nitrophenyl]methylidene]hydroxylamine
PubChem CID154216474
Molecular FormulaC14H11FN2O3
Molecular Weight274.25 g/mol
Exact Mass274.08
IUPAC NameN-[[2-[(2-fluorophenyl)methyl]-3-nitrophenyl]methylidene]hydroxylamine
SMILESO=[N+]([O-])c1cccc(C=NO)c1Cc1ccccc1F
InChIInChI=1S/C14H11FN2O3/c15-13-6-2-1-4-10(13)8-12-11(9-16-18)5-3-7-14(12)17(19)20/h1-7,9,18H,8H2
InChIKeyDBKFYHRERYBLGU-UHFFFAOYSA-N
XLogP3.13
TPSA75.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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 N-[[2-[(2-fluorophenyl)methyl]-3-nitrophenyl]methylidene]hydroxylamine?
The IUPAC name of N-[[2-[(2-fluorophenyl)methyl]-3-nitrophenyl]methylidene]hydroxylamine (CID 154216474) is N-[[2-[(2-fluorophenyl)methyl]-3-nitrophenyl]methylidene]hydroxylamine.
What is the SMILES notation for N-[[2-[(2-fluorophenyl)methyl]-3-nitrophenyl]methylidene]hydroxylamine?
The canonical SMILES for N-[[2-[(2-fluorophenyl)methyl]-3-nitrophenyl]methylidene]hydroxylamine is O=[N+]([O-])c1cccc(C=NO)c1Cc1ccccc1F.
What is the InChIKey of N-[[2-[(2-fluorophenyl)methyl]-3-nitrophenyl]methylidene]hydroxylamine?
The InChIKey is DBKFYHRERYBLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O3/c15-13-6-2-1-4-10(13)8-12-11(9-16-18)5-3-7-14(12)17(19)20/h1-7,9,18H,8H2.
What are the key properties of N-[[2-[(2-fluorophenyl)methyl]-3-nitrophenyl]methylidene]hydroxylamine?
N-[[2-[(2-fluorophenyl)methyl]-3-nitrophenyl]methylidene]hydroxylamine has a molecular weight of 274.25 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-fluorophenyl)methyl]-3-nitrophenyl]methylidene]hydroxylamine is sourced from PubChem (CID 154216474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).