1-(3-fluoropropyl)-2-(nitromethylidene)imidazolidine

C7H12FN3O2 — CID 141432131

IUPAC1-(3-fluoropropyl)-2-(nitromethylidene)imidazolidine
SMILESO=[N+]([O-])C=C1NCCN1CCCF
InChIInChI=1S/C7H12FN3O2/c8-2-1-4-10-5-3-9-7(10)6-11(12)13/h6,9H,1-5H2
InChIKeyJWMYYTJQIOBLFF-UHFFFAOYSA-N
MW189.19 g/mol
LogP0.33
Rot. Bonds4

About 1-(3-fluoropropyl)-2-(nitromethylidene)imidazolidine

1-(3-fluoropropyl)-2-(nitromethylidene)imidazolidine (PubChem CID 141432131) has the molecular formula C7H12FN3O2 and a molecular weight of 189.19 g/mol. Its IUPAC name is 1-(3-fluoropropyl)-2-(nitromethylidene)imidazolidine.

Molecular Properties

Compound Name1-(3-fluoropropyl)-2-(nitromethylidene)imidazolidine
PubChem CID141432131
Molecular FormulaC7H12FN3O2
Molecular Weight189.19 g/mol
Exact Mass189.09
IUPAC Name1-(3-fluoropropyl)-2-(nitromethylidene)imidazolidine
SMILESO=[N+]([O-])C=C1NCCN1CCCF
InChIInChI=1S/C7H12FN3O2/c8-2-1-4-10-5-3-9-7(10)6-11(12)13/h6,9H,1-5H2
InChIKeyJWMYYTJQIOBLFF-UHFFFAOYSA-N
XLogP0.33
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.19
LogP ≤ 50.33
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-(3-fluoropropyl)-2-(nitromethylidene)imidazolidine?
The IUPAC name of 1-(3-fluoropropyl)-2-(nitromethylidene)imidazolidine (CID 141432131) is 1-(3-fluoropropyl)-2-(nitromethylidene)imidazolidine.
What is the SMILES notation for 1-(3-fluoropropyl)-2-(nitromethylidene)imidazolidine?
The canonical SMILES for 1-(3-fluoropropyl)-2-(nitromethylidene)imidazolidine is O=[N+]([O-])C=C1NCCN1CCCF.
What is the InChIKey of 1-(3-fluoropropyl)-2-(nitromethylidene)imidazolidine?
The InChIKey is JWMYYTJQIOBLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FN3O2/c8-2-1-4-10-5-3-9-7(10)6-11(12)13/h6,9H,1-5H2.
What are the key properties of 1-(3-fluoropropyl)-2-(nitromethylidene)imidazolidine?
1-(3-fluoropropyl)-2-(nitromethylidene)imidazolidine has a molecular weight of 189.19 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)-2-(nitromethylidene)imidazolidine is sourced from PubChem (CID 141432131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).