1-[(3,3-difluorocyclobutyl)methyl]-4,5-dimethylimidazole

C10H14F2N2 — CID 131183293

IUPAC1-[(3,3-difluorocyclobutyl)methyl]-4,5-dimethylimidazole
SMILESCc1ncn(CC2CC(F)(F)C2)c1C
InChIInChI=1S/C10H14F2N2/c1-7-8(2)14(6-13-7)5-9-3-10(11,12)4-9/h6,9H,3-5H2,1-2H3
InChIKeyLVQIWYNAYVRJPB-UHFFFAOYSA-N
MW200.23 g/mol
LogP2.55
Rot. Bonds2

About 1-[(3,3-difluorocyclobutyl)methyl]-4,5-dimethylimidazole

1-[(3,3-difluorocyclobutyl)methyl]-4,5-dimethylimidazole (PubChem CID 131183293) has the molecular formula C10H14F2N2 and a molecular weight of 200.23 g/mol. Its IUPAC name is 1-[(3,3-difluorocyclobutyl)methyl]-4,5-dimethylimidazole.

Molecular Properties

Compound Name1-[(3,3-difluorocyclobutyl)methyl]-4,5-dimethylimidazole
PubChem CID131183293
Molecular FormulaC10H14F2N2
Molecular Weight200.23 g/mol
Exact Mass200.11
IUPAC Name1-[(3,3-difluorocyclobutyl)methyl]-4,5-dimethylimidazole
SMILESCc1ncn(CC2CC(F)(F)C2)c1C
InChIInChI=1S/C10H14F2N2/c1-7-8(2)14(6-13-7)5-9-3-10(11,12)4-9/h6,9H,3-5H2,1-2H3
InChIKeyLVQIWYNAYVRJPB-UHFFFAOYSA-N
XLogP2.55
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,3-difluorocyclobutyl)methyl]-4,5-dimethylimidazole?
The IUPAC name of 1-[(3,3-difluorocyclobutyl)methyl]-4,5-dimethylimidazole (CID 131183293) is 1-[(3,3-difluorocyclobutyl)methyl]-4,5-dimethylimidazole.
What is the SMILES notation for 1-[(3,3-difluorocyclobutyl)methyl]-4,5-dimethylimidazole?
The canonical SMILES for 1-[(3,3-difluorocyclobutyl)methyl]-4,5-dimethylimidazole is Cc1ncn(CC2CC(F)(F)C2)c1C.
What is the InChIKey of 1-[(3,3-difluorocyclobutyl)methyl]-4,5-dimethylimidazole?
The InChIKey is LVQIWYNAYVRJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2/c1-7-8(2)14(6-13-7)5-9-3-10(11,12)4-9/h6,9H,3-5H2,1-2H3.
What are the key properties of 1-[(3,3-difluorocyclobutyl)methyl]-4,5-dimethylimidazole?
1-[(3,3-difluorocyclobutyl)methyl]-4,5-dimethylimidazole has a molecular weight of 200.23 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,3-difluorocyclobutyl)methyl]-4,5-dimethylimidazole is sourced from PubChem (CID 131183293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).