2-fluoro-1,3-dihexylimidazolidine

C15H31FN2 — CID 69129645

IUPAC2-fluoro-1,3-dihexylimidazolidine
SMILESCCCCCCN1CCN(CCCCCC)C1F
InChIInChI=1S/C15H31FN2/c1-3-5-7-9-11-17-13-14-18(15(17)16)12-10-8-6-4-2/h15H,3-14H2,1-2H3
InChIKeyYXUHQXBTFAZHDR-UHFFFAOYSA-N
MW258.42 g/mol
LogP4.02
Rot. Bonds10

About 2-fluoro-1,3-dihexylimidazolidine

2-fluoro-1,3-dihexylimidazolidine (PubChem CID 69129645) has the molecular formula C15H31FN2 and a molecular weight of 258.42 g/mol. Its IUPAC name is 2-fluoro-1,3-dihexylimidazolidine.

Molecular Properties

Compound Name2-fluoro-1,3-dihexylimidazolidine
PubChem CID69129645
Molecular FormulaC15H31FN2
Molecular Weight258.42 g/mol
Exact Mass258.25
IUPAC Name2-fluoro-1,3-dihexylimidazolidine
SMILESCCCCCCN1CCN(CCCCCC)C1F
InChIInChI=1S/C15H31FN2/c1-3-5-7-9-11-17-13-14-18(15(17)16)12-10-8-6-4-2/h15H,3-14H2,1-2H3
InChIKeyYXUHQXBTFAZHDR-UHFFFAOYSA-N
XLogP4.02
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.42
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1,3-dihexylimidazolidine?
The IUPAC name of 2-fluoro-1,3-dihexylimidazolidine (CID 69129645) is 2-fluoro-1,3-dihexylimidazolidine.
What is the SMILES notation for 2-fluoro-1,3-dihexylimidazolidine?
The canonical SMILES for 2-fluoro-1,3-dihexylimidazolidine is CCCCCCN1CCN(CCCCCC)C1F.
What is the InChIKey of 2-fluoro-1,3-dihexylimidazolidine?
The InChIKey is YXUHQXBTFAZHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31FN2/c1-3-5-7-9-11-17-13-14-18(15(17)16)12-10-8-6-4-2/h15H,3-14H2,1-2H3.
What are the key properties of 2-fluoro-1,3-dihexylimidazolidine?
2-fluoro-1,3-dihexylimidazolidine has a molecular weight of 258.42 g/mol, XLogP of 4.02, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1,3-dihexylimidazolidine is sourced from PubChem (CID 69129645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).