1-(2-ethoxyethyl)-2,2,4,4,5,5-hexafluoro-3-(4-methoxyhexan-3-yl)imidazolidine

C14H24F6N2O2 — CID 139932713

IUPAC1-(2-ethoxyethyl)-2,2,4,4,5,5-hexafluoro-3-(4-methoxyhexan-3-yl)imidazolidine
SMILESCCOCCN1C(F)(F)N(C(CC)C(CC)OC)C(F)(F)C1(F)F
InChIInChI=1S/C14H24F6N2O2/c1-5-10(11(6-2)23-4)22-13(17,18)12(15,16)21(14(22,19)20)8-9-24-7-3/h10-11H,5-9H2,1-4H3
InChIKeyXCWCRMUYHGZFNR-UHFFFAOYSA-N
MW366.35 g/mol
LogP3.58
Rot. Bonds9

About 1-(2-ethoxyethyl)-2,2,4,4,5,5-hexafluoro-3-(4-methoxyhexan-3-yl)imidazolidine

1-(2-ethoxyethyl)-2,2,4,4,5,5-hexafluoro-3-(4-methoxyhexan-3-yl)imidazolidine (PubChem CID 139932713) has the molecular formula C14H24F6N2O2 and a molecular weight of 366.35 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-2,2,4,4,5,5-hexafluoro-3-(4-methoxyhexan-3-yl)imidazolidine.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-2,2,4,4,5,5-hexafluoro-3-(4-methoxyhexan-3-yl)imidazolidine
PubChem CID139932713
Molecular FormulaC14H24F6N2O2
Molecular Weight366.35 g/mol
Exact Mass366.17
IUPAC Name1-(2-ethoxyethyl)-2,2,4,4,5,5-hexafluoro-3-(4-methoxyhexan-3-yl)imidazolidine
SMILESCCOCCN1C(F)(F)N(C(CC)C(CC)OC)C(F)(F)C1(F)F
InChIInChI=1S/C14H24F6N2O2/c1-5-10(11(6-2)23-4)22-13(17,18)12(15,16)21(14(22,19)20)8-9-24-7-3/h10-11H,5-9H2,1-4H3
InChIKeyXCWCRMUYHGZFNR-UHFFFAOYSA-N
XLogP3.58
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.35
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-2,2,4,4,5,5-hexafluoro-3-(4-methoxyhexan-3-yl)imidazolidine?
The IUPAC name of 1-(2-ethoxyethyl)-2,2,4,4,5,5-hexafluoro-3-(4-methoxyhexan-3-yl)imidazolidine (CID 139932713) is 1-(2-ethoxyethyl)-2,2,4,4,5,5-hexafluoro-3-(4-methoxyhexan-3-yl)imidazolidine.
What is the SMILES notation for 1-(2-ethoxyethyl)-2,2,4,4,5,5-hexafluoro-3-(4-methoxyhexan-3-yl)imidazolidine?
The canonical SMILES for 1-(2-ethoxyethyl)-2,2,4,4,5,5-hexafluoro-3-(4-methoxyhexan-3-yl)imidazolidine is CCOCCN1C(F)(F)N(C(CC)C(CC)OC)C(F)(F)C1(F)F.
What is the InChIKey of 1-(2-ethoxyethyl)-2,2,4,4,5,5-hexafluoro-3-(4-methoxyhexan-3-yl)imidazolidine?
The InChIKey is XCWCRMUYHGZFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F6N2O2/c1-5-10(11(6-2)23-4)22-13(17,18)12(15,16)21(14(22,19)20)8-9-24-7-3/h10-11H,5-9H2,1-4H3.
What are the key properties of 1-(2-ethoxyethyl)-2,2,4,4,5,5-hexafluoro-3-(4-methoxyhexan-3-yl)imidazolidine?
1-(2-ethoxyethyl)-2,2,4,4,5,5-hexafluoro-3-(4-methoxyhexan-3-yl)imidazolidine has a molecular weight of 366.35 g/mol, XLogP of 3.58, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-2,2,4,4,5,5-hexafluoro-3-(4-methoxyhexan-3-yl)imidazolidine is sourced from PubChem (CID 139932713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).