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

C8H13F2N3O — CID 43416416

IUPAC1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]propan-2-ol
SMILESCC(O)CNCc1nccn1C(F)F
InChIInChI=1S/C8H13F2N3O/c1-6(14)4-11-5-7-12-2-3-13(7)8(9)10/h2-3,6,8,11,14H,4-5H2,1H3
InChIKeyNGZZEWPRKYAZSJ-UHFFFAOYSA-N
MW205.21 g/mol
LogP0.75
Rot. Bonds5

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

1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]propan-2-ol (PubChem CID 43416416) has the molecular formula C8H13F2N3O and a molecular weight of 205.21 g/mol. Its IUPAC name is 1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]propan-2-ol
PubChem CID43416416
Molecular FormulaC8H13F2N3O
Molecular Weight205.21 g/mol
Exact Mass205.10
IUPAC Name1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]propan-2-ol
SMILESCC(O)CNCc1nccn1C(F)F
InChIInChI=1S/C8H13F2N3O/c1-6(14)4-11-5-7-12-2-3-13(7)8(9)10/h2-3,6,8,11,14H,4-5H2,1H3
InChIKeyNGZZEWPRKYAZSJ-UHFFFAOYSA-N
XLogP0.75
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]propan-2-ol?
The IUPAC name of 1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]propan-2-ol (CID 43416416) is 1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]propan-2-ol.
What is the SMILES notation for 1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]propan-2-ol?
The canonical SMILES for 1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]propan-2-ol is CC(O)CNCc1nccn1C(F)F.
What is the InChIKey of 1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]propan-2-ol?
The InChIKey is NGZZEWPRKYAZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N3O/c1-6(14)4-11-5-7-12-2-3-13(7)8(9)10/h2-3,6,8,11,14H,4-5H2,1H3.
What are the key properties of 1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]propan-2-ol?
1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]propan-2-ol has a molecular weight of 205.21 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]propan-2-ol is sourced from PubChem (CID 43416416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).