4-(1,1-difluoropropoxymethyl)-1-phenylimidazole

C13H14F2N2O — CID 70803161

IUPAC4-(1,1-difluoropropoxymethyl)-1-phenylimidazole
SMILESCCC(F)(F)OCc1cn(-c2ccccc2)cn1
InChIInChI=1S/C13H14F2N2O/c1-2-13(14,15)18-9-11-8-17(10-16-11)12-6-4-3-5-7-12/h3-8,10H,2,9H2,1H3
InChIKeyAIUKZVBJADPWQV-UHFFFAOYSA-N
MW252.26 g/mol
LogP3.39
Rot. Bonds5

About 4-(1,1-difluoropropoxymethyl)-1-phenylimidazole

4-(1,1-difluoropropoxymethyl)-1-phenylimidazole (PubChem CID 70803161) has the molecular formula C13H14F2N2O and a molecular weight of 252.26 g/mol. Its IUPAC name is 4-(1,1-difluoropropoxymethyl)-1-phenylimidazole.

Molecular Properties

Compound Name4-(1,1-difluoropropoxymethyl)-1-phenylimidazole
PubChem CID70803161
Molecular FormulaC13H14F2N2O
Molecular Weight252.26 g/mol
Exact Mass252.11
IUPAC Name4-(1,1-difluoropropoxymethyl)-1-phenylimidazole
SMILESCCC(F)(F)OCc1cn(-c2ccccc2)cn1
InChIInChI=1S/C13H14F2N2O/c1-2-13(14,15)18-9-11-8-17(10-16-11)12-6-4-3-5-7-12/h3-8,10H,2,9H2,1H3
InChIKeyAIUKZVBJADPWQV-UHFFFAOYSA-N
XLogP3.39
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1-difluoropropoxymethyl)-1-phenylimidazole?
The IUPAC name of 4-(1,1-difluoropropoxymethyl)-1-phenylimidazole (CID 70803161) is 4-(1,1-difluoropropoxymethyl)-1-phenylimidazole.
What is the SMILES notation for 4-(1,1-difluoropropoxymethyl)-1-phenylimidazole?
The canonical SMILES for 4-(1,1-difluoropropoxymethyl)-1-phenylimidazole is CCC(F)(F)OCc1cn(-c2ccccc2)cn1.
What is the InChIKey of 4-(1,1-difluoropropoxymethyl)-1-phenylimidazole?
The InChIKey is AIUKZVBJADPWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O/c1-2-13(14,15)18-9-11-8-17(10-16-11)12-6-4-3-5-7-12/h3-8,10H,2,9H2,1H3.
What are the key properties of 4-(1,1-difluoropropoxymethyl)-1-phenylimidazole?
4-(1,1-difluoropropoxymethyl)-1-phenylimidazole has a molecular weight of 252.26 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-difluoropropoxymethyl)-1-phenylimidazole is sourced from PubChem (CID 70803161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).