1-[1-(2,2-difluoropropoxy)-1,1,2,2,3,4,5,5,5-nonafluoropentan-3-yl]imidazole

C11H9F11N2O — CID 89114482

IUPAC1-[1-(2,2-difluoropropoxy)-1,1,2,2,3,4,5,5,5-nonafluoropentan-3-yl]imidazole
SMILESCC(F)(F)COC(F)(F)C(F)(F)C(F)(C(F)C(F)(F)F)n1ccnc1
InChIInChI=1S/C11H9F11N2O/c1-7(13,14)4-25-11(21,22)10(19,20)8(15,6(12)9(16,17)18)24-3-2-23-5-24/h2-3,5-6H,4H2,1H3
InChIKeyFLAGDXODKRXEGC-UHFFFAOYSA-N
MW394.18 g/mol
LogP4.31
Rot. Bonds7

About 1-[1-(2,2-difluoropropoxy)-1,1,2,2,3,4,5,5,5-nonafluoropentan-3-yl]imidazole

1-[1-(2,2-difluoropropoxy)-1,1,2,2,3,4,5,5,5-nonafluoropentan-3-yl]imidazole (PubChem CID 89114482) has the molecular formula C11H9F11N2O and a molecular weight of 394.18 g/mol. Its IUPAC name is 1-[1-(2,2-difluoropropoxy)-1,1,2,2,3,4,5,5,5-nonafluoropentan-3-yl]imidazole.

Molecular Properties

Compound Name1-[1-(2,2-difluoropropoxy)-1,1,2,2,3,4,5,5,5-nonafluoropentan-3-yl]imidazole
PubChem CID89114482
Molecular FormulaC11H9F11N2O
Molecular Weight394.18 g/mol
Exact Mass394.05
IUPAC Name1-[1-(2,2-difluoropropoxy)-1,1,2,2,3,4,5,5,5-nonafluoropentan-3-yl]imidazole
SMILESCC(F)(F)COC(F)(F)C(F)(F)C(F)(C(F)C(F)(F)F)n1ccnc1
InChIInChI=1S/C11H9F11N2O/c1-7(13,14)4-25-11(21,22)10(19,20)8(15,6(12)9(16,17)18)24-3-2-23-5-24/h2-3,5-6H,4H2,1H3
InChIKeyFLAGDXODKRXEGC-UHFFFAOYSA-N
XLogP4.31
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.18
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2-difluoropropoxy)-1,1,2,2,3,4,5,5,5-nonafluoropentan-3-yl]imidazole?
The IUPAC name of 1-[1-(2,2-difluoropropoxy)-1,1,2,2,3,4,5,5,5-nonafluoropentan-3-yl]imidazole (CID 89114482) is 1-[1-(2,2-difluoropropoxy)-1,1,2,2,3,4,5,5,5-nonafluoropentan-3-yl]imidazole.
What is the SMILES notation for 1-[1-(2,2-difluoropropoxy)-1,1,2,2,3,4,5,5,5-nonafluoropentan-3-yl]imidazole?
The canonical SMILES for 1-[1-(2,2-difluoropropoxy)-1,1,2,2,3,4,5,5,5-nonafluoropentan-3-yl]imidazole is CC(F)(F)COC(F)(F)C(F)(F)C(F)(C(F)C(F)(F)F)n1ccnc1.
What is the InChIKey of 1-[1-(2,2-difluoropropoxy)-1,1,2,2,3,4,5,5,5-nonafluoropentan-3-yl]imidazole?
The InChIKey is FLAGDXODKRXEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F11N2O/c1-7(13,14)4-25-11(21,22)10(19,20)8(15,6(12)9(16,17)18)24-3-2-23-5-24/h2-3,5-6H,4H2,1H3.
What are the key properties of 1-[1-(2,2-difluoropropoxy)-1,1,2,2,3,4,5,5,5-nonafluoropentan-3-yl]imidazole?
1-[1-(2,2-difluoropropoxy)-1,1,2,2,3,4,5,5,5-nonafluoropentan-3-yl]imidazole has a molecular weight of 394.18 g/mol, XLogP of 4.31, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,2-difluoropropoxy)-1,1,2,2,3,4,5,5,5-nonafluoropentan-3-yl]imidazole is sourced from PubChem (CID 89114482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).