2,2-difluoro-3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]propan-1-ol

C8H14F2N4O2 — CID 106173040

IUPAC2,2-difluoro-3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]propan-1-ol
SMILESOCCn1cc(CNCC(F)(F)CO)nn1
InChIInChI=1S/C8H14F2N4O2/c9-8(10,6-16)5-11-3-7-4-14(1-2-15)13-12-7/h4,11,15-16H,1-3,5-6H2
InChIKeyZLRLEDWXTUELBE-UHFFFAOYSA-N
MW236.22 g/mol
LogP-1.01
Rot. Bonds7

About 2,2-difluoro-3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]propan-1-ol

2,2-difluoro-3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]propan-1-ol (PubChem CID 106173040) has the molecular formula C8H14F2N4O2 and a molecular weight of 236.22 g/mol. Its IUPAC name is 2,2-difluoro-3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]propan-1-ol
PubChem CID106173040
Molecular FormulaC8H14F2N4O2
Molecular Weight236.22 g/mol
Exact Mass236.11
IUPAC Name2,2-difluoro-3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]propan-1-ol
SMILESOCCn1cc(CNCC(F)(F)CO)nn1
InChIInChI=1S/C8H14F2N4O2/c9-8(10,6-16)5-11-3-7-4-14(1-2-15)13-12-7/h4,11,15-16H,1-3,5-6H2
InChIKeyZLRLEDWXTUELBE-UHFFFAOYSA-N
XLogP-1.01
TPSA83.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.22
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]propan-1-ol?
The IUPAC name of 2,2-difluoro-3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]propan-1-ol (CID 106173040) is 2,2-difluoro-3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]propan-1-ol is OCCn1cc(CNCC(F)(F)CO)nn1.
What is the InChIKey of 2,2-difluoro-3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]propan-1-ol?
The InChIKey is ZLRLEDWXTUELBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N4O2/c9-8(10,6-16)5-11-3-7-4-14(1-2-15)13-12-7/h4,11,15-16H,1-3,5-6H2.
What are the key properties of 2,2-difluoro-3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]propan-1-ol?
2,2-difluoro-3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]propan-1-ol has a molecular weight of 236.22 g/mol, XLogP of -1.01, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]propan-1-ol is sourced from PubChem (CID 106173040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).