2-[difluoro(nitro)methyl]-1-[(5-methyloxolan-3-yl)methyl]-4,5-dihydroimidazole

C10H15F2N3O3 — CID 139702913

IUPAC2-[difluoro(nitro)methyl]-1-[(5-methyloxolan-3-yl)methyl]-4,5-dihydroimidazole
SMILESCC1CC(CN2CCN=C2C(F)(F)[N+](=O)[O-])CO1
InChIInChI=1S/C10H15F2N3O3/c1-7-4-8(6-18-7)5-14-3-2-13-9(14)10(11,12)15(16)17/h7-8H,2-6H2,1H3
InChIKeyLBWVJIDUKPJKFN-UHFFFAOYSA-N
MW263.24 g/mol
LogP1.00
Rot. Bonds4

About 2-[difluoro(nitro)methyl]-1-[(5-methyloxolan-3-yl)methyl]-4,5-dihydroimidazole

2-[difluoro(nitro)methyl]-1-[(5-methyloxolan-3-yl)methyl]-4,5-dihydroimidazole (PubChem CID 139702913) has the molecular formula C10H15F2N3O3 and a molecular weight of 263.24 g/mol. Its IUPAC name is 2-[difluoro(nitro)methyl]-1-[(5-methyloxolan-3-yl)methyl]-4,5-dihydroimidazole.

Molecular Properties

Compound Name2-[difluoro(nitro)methyl]-1-[(5-methyloxolan-3-yl)methyl]-4,5-dihydroimidazole
PubChem CID139702913
Molecular FormulaC10H15F2N3O3
Molecular Weight263.24 g/mol
Exact Mass263.11
IUPAC Name2-[difluoro(nitro)methyl]-1-[(5-methyloxolan-3-yl)methyl]-4,5-dihydroimidazole
SMILESCC1CC(CN2CCN=C2C(F)(F)[N+](=O)[O-])CO1
InChIInChI=1S/C10H15F2N3O3/c1-7-4-8(6-18-7)5-14-3-2-13-9(14)10(11,12)15(16)17/h7-8H,2-6H2,1H3
InChIKeyLBWVJIDUKPJKFN-UHFFFAOYSA-N
XLogP1.00
TPSA67.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.24
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'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 2-[difluoro(nitro)methyl]-1-[(5-methyloxolan-3-yl)methyl]-4,5-dihydroimidazole?
The IUPAC name of 2-[difluoro(nitro)methyl]-1-[(5-methyloxolan-3-yl)methyl]-4,5-dihydroimidazole (CID 139702913) is 2-[difluoro(nitro)methyl]-1-[(5-methyloxolan-3-yl)methyl]-4,5-dihydroimidazole.
What is the SMILES notation for 2-[difluoro(nitro)methyl]-1-[(5-methyloxolan-3-yl)methyl]-4,5-dihydroimidazole?
The canonical SMILES for 2-[difluoro(nitro)methyl]-1-[(5-methyloxolan-3-yl)methyl]-4,5-dihydroimidazole is CC1CC(CN2CCN=C2C(F)(F)[N+](=O)[O-])CO1.
What is the InChIKey of 2-[difluoro(nitro)methyl]-1-[(5-methyloxolan-3-yl)methyl]-4,5-dihydroimidazole?
The InChIKey is LBWVJIDUKPJKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N3O3/c1-7-4-8(6-18-7)5-14-3-2-13-9(14)10(11,12)15(16)17/h7-8H,2-6H2,1H3.
What are the key properties of 2-[difluoro(nitro)methyl]-1-[(5-methyloxolan-3-yl)methyl]-4,5-dihydroimidazole?
2-[difluoro(nitro)methyl]-1-[(5-methyloxolan-3-yl)methyl]-4,5-dihydroimidazole has a molecular weight of 263.24 g/mol, XLogP of 1.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[difluoro(nitro)methyl]-1-[(5-methyloxolan-3-yl)methyl]-4,5-dihydroimidazole is sourced from PubChem (CID 139702913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).