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

C8H13F2N3O — CID 43416431

IUPAC3-[[1-(difluoromethyl)imidazol-2-yl]methylamino]propan-1-ol
SMILESOCCCNCc1nccn1C(F)F
InChIInChI=1S/C8H13F2N3O/c9-8(10)13-4-3-12-7(13)6-11-2-1-5-14/h3-4,8,11,14H,1-2,5-6H2
InChIKeyAZGMQJXHIARTPW-UHFFFAOYSA-N
MW205.21 g/mol
LogP0.75
Rot. Bonds6

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

3-[[1-(difluoromethyl)imidazol-2-yl]methylamino]propan-1-ol (PubChem CID 43416431) has the molecular formula C8H13F2N3O and a molecular weight of 205.21 g/mol. Its IUPAC name is 3-[[1-(difluoromethyl)imidazol-2-yl]methylamino]propan-1-ol.

Molecular Properties

Compound Name3-[[1-(difluoromethyl)imidazol-2-yl]methylamino]propan-1-ol
PubChem CID43416431
Molecular FormulaC8H13F2N3O
Molecular Weight205.21 g/mol
Exact Mass205.10
IUPAC Name3-[[1-(difluoromethyl)imidazol-2-yl]methylamino]propan-1-ol
SMILESOCCCNCc1nccn1C(F)F
InChIInChI=1S/C8H13F2N3O/c9-8(10)13-4-3-12-7(13)6-11-2-1-5-14/h3-4,8,11,14H,1-2,5-6H2
InChIKeyAZGMQJXHIARTPW-UHFFFAOYSA-N
XLogP0.75
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(difluoromethyl)imidazol-2-yl]methylamino]propan-1-ol?
The IUPAC name of 3-[[1-(difluoromethyl)imidazol-2-yl]methylamino]propan-1-ol (CID 43416431) is 3-[[1-(difluoromethyl)imidazol-2-yl]methylamino]propan-1-ol.
What is the SMILES notation for 3-[[1-(difluoromethyl)imidazol-2-yl]methylamino]propan-1-ol?
The canonical SMILES for 3-[[1-(difluoromethyl)imidazol-2-yl]methylamino]propan-1-ol is OCCCNCc1nccn1C(F)F.
What is the InChIKey of 3-[[1-(difluoromethyl)imidazol-2-yl]methylamino]propan-1-ol?
The InChIKey is AZGMQJXHIARTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N3O/c9-8(10)13-4-3-12-7(13)6-11-2-1-5-14/h3-4,8,11,14H,1-2,5-6H2.
What are the key properties of 3-[[1-(difluoromethyl)imidazol-2-yl]methylamino]propan-1-ol?
3-[[1-(difluoromethyl)imidazol-2-yl]methylamino]propan-1-ol has a molecular weight of 205.21 g/mol, XLogP of 0.75, 6 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]propan-1-ol is sourced from PubChem (CID 43416431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).