2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-2-methylpropan-1-ol

C9H15F2N3O — CID 43416485

IUPAC2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-2-methylpropan-1-ol
SMILESCC(C)(CO)NCc1nccn1C(F)F
InChIInChI=1S/C9H15F2N3O/c1-9(2,6-15)13-5-7-12-3-4-14(7)8(10)11/h3-4,8,13,15H,5-6H2,1-2H3
InChIKeyVURCWDDQEKLRKQ-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.14
Rot. Bonds5

About 2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-2-methylpropan-1-ol

2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-2-methylpropan-1-ol (PubChem CID 43416485) has the molecular formula C9H15F2N3O and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-2-methylpropan-1-ol
PubChem CID43416485
Molecular FormulaC9H15F2N3O
Molecular Weight219.24 g/mol
Exact Mass219.12
IUPAC Name2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-2-methylpropan-1-ol
SMILESCC(C)(CO)NCc1nccn1C(F)F
InChIInChI=1S/C9H15F2N3O/c1-9(2,6-15)13-5-7-12-3-4-14(7)8(10)11/h3-4,8,13,15H,5-6H2,1-2H3
InChIKeyVURCWDDQEKLRKQ-UHFFFAOYSA-N
XLogP1.14
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-2-methylpropan-1-ol?
The IUPAC name of 2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-2-methylpropan-1-ol (CID 43416485) is 2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-2-methylpropan-1-ol is CC(C)(CO)NCc1nccn1C(F)F.
What is the InChIKey of 2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-2-methylpropan-1-ol?
The InChIKey is VURCWDDQEKLRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N3O/c1-9(2,6-15)13-5-7-12-3-4-14(7)8(10)11/h3-4,8,13,15H,5-6H2,1-2H3.
What are the key properties of 2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-2-methylpropan-1-ol?
2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-2-methylpropan-1-ol has a molecular weight of 219.24 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-2-methylpropan-1-ol is sourced from PubChem (CID 43416485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).