2-[fluoro(nitro)methylidene]-1,4-dimethyl-3-[(4-methyloxolan-3-yl)methyl]imidazolidine

C12H20FN3O3 — CID 139702969

IUPAC2-[fluoro(nitro)methylidene]-1,4-dimethyl-3-[(4-methyloxolan-3-yl)methyl]imidazolidine
SMILESCC1COCC1CN1C(=C(F)[N+](=O)[O-])N(C)CC1C
InChIInChI=1S/C12H20FN3O3/c1-8-6-19-7-10(8)5-15-9(2)4-14(3)12(15)11(13)16(17)18/h8-10H,4-7H2,1-3H3
InChIKeyHZHSJOVBDNNWNE-UHFFFAOYSA-N
MW273.31 g/mol
LogP1.28
Rot. Bonds3

About 2-[fluoro(nitro)methylidene]-1,4-dimethyl-3-[(4-methyloxolan-3-yl)methyl]imidazolidine

2-[fluoro(nitro)methylidene]-1,4-dimethyl-3-[(4-methyloxolan-3-yl)methyl]imidazolidine (PubChem CID 139702969) has the molecular formula C12H20FN3O3 and a molecular weight of 273.31 g/mol. Its IUPAC name is 2-[fluoro(nitro)methylidene]-1,4-dimethyl-3-[(4-methyloxolan-3-yl)methyl]imidazolidine.

Molecular Properties

Compound Name2-[fluoro(nitro)methylidene]-1,4-dimethyl-3-[(4-methyloxolan-3-yl)methyl]imidazolidine
PubChem CID139702969
Molecular FormulaC12H20FN3O3
Molecular Weight273.31 g/mol
Exact Mass273.15
IUPAC Name2-[fluoro(nitro)methylidene]-1,4-dimethyl-3-[(4-methyloxolan-3-yl)methyl]imidazolidine
SMILESCC1COCC1CN1C(=C(F)[N+](=O)[O-])N(C)CC1C
InChIInChI=1S/C12H20FN3O3/c1-8-6-19-7-10(8)5-15-9(2)4-14(3)12(15)11(13)16(17)18/h8-10H,4-7H2,1-3H3
InChIKeyHZHSJOVBDNNWNE-UHFFFAOYSA-N
XLogP1.28
TPSA58.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'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 2-[fluoro(nitro)methylidene]-1,4-dimethyl-3-[(4-methyloxolan-3-yl)methyl]imidazolidine?
The IUPAC name of 2-[fluoro(nitro)methylidene]-1,4-dimethyl-3-[(4-methyloxolan-3-yl)methyl]imidazolidine (CID 139702969) is 2-[fluoro(nitro)methylidene]-1,4-dimethyl-3-[(4-methyloxolan-3-yl)methyl]imidazolidine.
What is the SMILES notation for 2-[fluoro(nitro)methylidene]-1,4-dimethyl-3-[(4-methyloxolan-3-yl)methyl]imidazolidine?
The canonical SMILES for 2-[fluoro(nitro)methylidene]-1,4-dimethyl-3-[(4-methyloxolan-3-yl)methyl]imidazolidine is CC1COCC1CN1C(=C(F)[N+](=O)[O-])N(C)CC1C.
What is the InChIKey of 2-[fluoro(nitro)methylidene]-1,4-dimethyl-3-[(4-methyloxolan-3-yl)methyl]imidazolidine?
The InChIKey is HZHSJOVBDNNWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN3O3/c1-8-6-19-7-10(8)5-15-9(2)4-14(3)12(15)11(13)16(17)18/h8-10H,4-7H2,1-3H3.
What are the key properties of 2-[fluoro(nitro)methylidene]-1,4-dimethyl-3-[(4-methyloxolan-3-yl)methyl]imidazolidine?
2-[fluoro(nitro)methylidene]-1,4-dimethyl-3-[(4-methyloxolan-3-yl)methyl]imidazolidine has a molecular weight of 273.31 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[fluoro(nitro)methylidene]-1,4-dimethyl-3-[(4-methyloxolan-3-yl)methyl]imidazolidine is sourced from PubChem (CID 139702969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).