3-[4-[(2,2,3,3-tetrafluoropropylamino)methyl]triazol-1-yl]propan-1-ol

C9H14F4N4O — CID 106289293

IUPAC3-[4-[(2,2,3,3-tetrafluoropropylamino)methyl]triazol-1-yl]propan-1-ol
SMILESOCCCn1cc(CNCC(F)(F)C(F)F)nn1
InChIInChI=1S/C9H14F4N4O/c10-8(11)9(12,13)6-14-4-7-5-17(16-15-7)2-1-3-18/h5,8,14,18H,1-4,6H2
InChIKeyVWYAPHMPESOLDC-UHFFFAOYSA-N
MW270.23 g/mol
LogP0.65
Rot. Bonds8

About 3-[4-[(2,2,3,3-tetrafluoropropylamino)methyl]triazol-1-yl]propan-1-ol

3-[4-[(2,2,3,3-tetrafluoropropylamino)methyl]triazol-1-yl]propan-1-ol (PubChem CID 106289293) has the molecular formula C9H14F4N4O and a molecular weight of 270.23 g/mol. Its IUPAC name is 3-[4-[(2,2,3,3-tetrafluoropropylamino)methyl]triazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-[(2,2,3,3-tetrafluoropropylamino)methyl]triazol-1-yl]propan-1-ol
PubChem CID106289293
Molecular FormulaC9H14F4N4O
Molecular Weight270.23 g/mol
Exact Mass270.11
IUPAC Name3-[4-[(2,2,3,3-tetrafluoropropylamino)methyl]triazol-1-yl]propan-1-ol
SMILESOCCCn1cc(CNCC(F)(F)C(F)F)nn1
InChIInChI=1S/C9H14F4N4O/c10-8(11)9(12,13)6-14-4-7-5-17(16-15-7)2-1-3-18/h5,8,14,18H,1-4,6H2
InChIKeyVWYAPHMPESOLDC-UHFFFAOYSA-N
XLogP0.65
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.23
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[4-[(2,2,3,3-tetrafluoropropylamino)methyl]triazol-1-yl]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2,2,3,3-tetrafluoropropylamino)methyl]triazol-1-yl]propan-1-ol?
The IUPAC name of 3-[4-[(2,2,3,3-tetrafluoropropylamino)methyl]triazol-1-yl]propan-1-ol (CID 106289293) is 3-[4-[(2,2,3,3-tetrafluoropropylamino)methyl]triazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[4-[(2,2,3,3-tetrafluoropropylamino)methyl]triazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[4-[(2,2,3,3-tetrafluoropropylamino)methyl]triazol-1-yl]propan-1-ol is OCCCn1cc(CNCC(F)(F)C(F)F)nn1.
What is the InChIKey of 3-[4-[(2,2,3,3-tetrafluoropropylamino)methyl]triazol-1-yl]propan-1-ol?
The InChIKey is VWYAPHMPESOLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F4N4O/c10-8(11)9(12,13)6-14-4-7-5-17(16-15-7)2-1-3-18/h5,8,14,18H,1-4,6H2.
What are the key properties of 3-[4-[(2,2,3,3-tetrafluoropropylamino)methyl]triazol-1-yl]propan-1-ol?
3-[4-[(2,2,3,3-tetrafluoropropylamino)methyl]triazol-1-yl]propan-1-ol has a molecular weight of 270.23 g/mol, XLogP of 0.65, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2,2,3,3-tetrafluoropropylamino)methyl]triazol-1-yl]propan-1-ol is sourced from PubChem (CID 106289293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).