1-[2-(difluoromethoxy)ethyl]-5-propan-2-ylimidazole

C9H14F2N2O — CID 170023299

IUPAC1-[2-(difluoromethoxy)ethyl]-5-propan-2-ylimidazole
SMILESCC(C)c1cncn1CCOC(F)F
InChIInChI=1S/C9H14F2N2O/c1-7(2)8-5-12-6-13(8)3-4-14-9(10)11/h5-7,9H,3-4H2,1-2H3
InChIKeyBNDYEFFEJMODBS-UHFFFAOYSA-N
MW204.22 g/mol
LogP2.25
Rot. Bonds5

About 1-[2-(difluoromethoxy)ethyl]-5-propan-2-ylimidazole

1-[2-(difluoromethoxy)ethyl]-5-propan-2-ylimidazole (PubChem CID 170023299) has the molecular formula C9H14F2N2O and a molecular weight of 204.22 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)ethyl]-5-propan-2-ylimidazole.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)ethyl]-5-propan-2-ylimidazole
PubChem CID170023299
Molecular FormulaC9H14F2N2O
Molecular Weight204.22 g/mol
Exact Mass204.11
IUPAC Name1-[2-(difluoromethoxy)ethyl]-5-propan-2-ylimidazole
SMILESCC(C)c1cncn1CCOC(F)F
InChIInChI=1S/C9H14F2N2O/c1-7(2)8-5-12-6-13(8)3-4-14-9(10)11/h5-7,9H,3-4H2,1-2H3
InChIKeyBNDYEFFEJMODBS-UHFFFAOYSA-N
XLogP2.25
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)ethyl]-5-propan-2-ylimidazole?
The IUPAC name of 1-[2-(difluoromethoxy)ethyl]-5-propan-2-ylimidazole (CID 170023299) is 1-[2-(difluoromethoxy)ethyl]-5-propan-2-ylimidazole.
What is the SMILES notation for 1-[2-(difluoromethoxy)ethyl]-5-propan-2-ylimidazole?
The canonical SMILES for 1-[2-(difluoromethoxy)ethyl]-5-propan-2-ylimidazole is CC(C)c1cncn1CCOC(F)F.
What is the InChIKey of 1-[2-(difluoromethoxy)ethyl]-5-propan-2-ylimidazole?
The InChIKey is BNDYEFFEJMODBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2O/c1-7(2)8-5-12-6-13(8)3-4-14-9(10)11/h5-7,9H,3-4H2,1-2H3.
What are the key properties of 1-[2-(difluoromethoxy)ethyl]-5-propan-2-ylimidazole?
1-[2-(difluoromethoxy)ethyl]-5-propan-2-ylimidazole has a molecular weight of 204.22 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)ethyl]-5-propan-2-ylimidazole is sourced from PubChem (CID 170023299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).