3-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-2,2-dimethylcyclobutan-1-ol

C11H17F2N3O — CID 113357265

IUPAC3-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-2,2-dimethylcyclobutan-1-ol
SMILESCC1(C)C(O)CC1NCc1nccn1C(F)F
InChIInChI=1S/C11H17F2N3O/c1-11(2)7(5-8(11)17)15-6-9-14-3-4-16(9)10(12)13/h3-4,7-8,10,15,17H,5-6H2,1-2H3
InChIKeyUYRKUBKYYQQLCB-UHFFFAOYSA-N
MW245.27 g/mol
LogP1.53
Rot. Bonds4

About 3-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-2,2-dimethylcyclobutan-1-ol

3-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-2,2-dimethylcyclobutan-1-ol (PubChem CID 113357265) has the molecular formula C11H17F2N3O and a molecular weight of 245.27 g/mol. Its IUPAC name is 3-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-2,2-dimethylcyclobutan-1-ol
PubChem CID113357265
Molecular FormulaC11H17F2N3O
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name3-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-2,2-dimethylcyclobutan-1-ol
SMILESCC1(C)C(O)CC1NCc1nccn1C(F)F
InChIInChI=1S/C11H17F2N3O/c1-11(2)7(5-8(11)17)15-6-9-14-3-4-16(9)10(12)13/h3-4,7-8,10,15,17H,5-6H2,1-2H3
InChIKeyUYRKUBKYYQQLCB-UHFFFAOYSA-N
XLogP1.53
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-2,2-dimethylcyclobutan-1-ol?
The IUPAC name of 3-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-2,2-dimethylcyclobutan-1-ol (CID 113357265) is 3-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for 3-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for 3-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-2,2-dimethylcyclobutan-1-ol is CC1(C)C(O)CC1NCc1nccn1C(F)F.
What is the InChIKey of 3-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-2,2-dimethylcyclobutan-1-ol?
The InChIKey is UYRKUBKYYQQLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3O/c1-11(2)7(5-8(11)17)15-6-9-14-3-4-16(9)10(12)13/h3-4,7-8,10,15,17H,5-6H2,1-2H3.
What are the key properties of 3-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-2,2-dimethylcyclobutan-1-ol?
3-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-2,2-dimethylcyclobutan-1-ol has a molecular weight of 245.27 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-2,2-dimethylcyclobutan-1-ol is sourced from PubChem (CID 113357265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).