1,3-dibutyl-2-fluoroimidazolidine

C11H23FN2 — CID 69130108

IUPAC1,3-dibutyl-2-fluoroimidazolidine
SMILESCCCCN1CCN(CCCC)C1F
InChIInChI=1S/C11H23FN2/c1-3-5-7-13-9-10-14(11(13)12)8-6-4-2/h11H,3-10H2,1-2H3
InChIKeyLINIPGMIBPOYDI-UHFFFAOYSA-N
MW202.32 g/mol
LogP2.46
Rot. Bonds6

About 1,3-dibutyl-2-fluoroimidazolidine

1,3-dibutyl-2-fluoroimidazolidine (PubChem CID 69130108) has the molecular formula C11H23FN2 and a molecular weight of 202.32 g/mol. Its IUPAC name is 1,3-dibutyl-2-fluoroimidazolidine.

Molecular Properties

Compound Name1,3-dibutyl-2-fluoroimidazolidine
PubChem CID69130108
Molecular FormulaC11H23FN2
Molecular Weight202.32 g/mol
Exact Mass202.18
IUPAC Name1,3-dibutyl-2-fluoroimidazolidine
SMILESCCCCN1CCN(CCCC)C1F
InChIInChI=1S/C11H23FN2/c1-3-5-7-13-9-10-14(11(13)12)8-6-4-2/h11H,3-10H2,1-2H3
InChIKeyLINIPGMIBPOYDI-UHFFFAOYSA-N
XLogP2.46
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-dibutyl-2-fluoroimidazolidine?
The IUPAC name of 1,3-dibutyl-2-fluoroimidazolidine (CID 69130108) is 1,3-dibutyl-2-fluoroimidazolidine.
What is the SMILES notation for 1,3-dibutyl-2-fluoroimidazolidine?
The canonical SMILES for 1,3-dibutyl-2-fluoroimidazolidine is CCCCN1CCN(CCCC)C1F.
What is the InChIKey of 1,3-dibutyl-2-fluoroimidazolidine?
The InChIKey is LINIPGMIBPOYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23FN2/c1-3-5-7-13-9-10-14(11(13)12)8-6-4-2/h11H,3-10H2,1-2H3.
What are the key properties of 1,3-dibutyl-2-fluoroimidazolidine?
1,3-dibutyl-2-fluoroimidazolidine has a molecular weight of 202.32 g/mol, XLogP of 2.46, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibutyl-2-fluoroimidazolidine is sourced from PubChem (CID 69130108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).