2,2-difluoro-3-(1,2,4-triazol-4-yl)propan-1-ol

C5H7F2N3O — CID 106172503

IUPAC2,2-difluoro-3-(1,2,4-triazol-4-yl)propan-1-ol
SMILESOCC(F)(F)Cn1cnnc1
InChIInChI=1S/C5H7F2N3O/c6-5(7,2-11)1-10-3-8-9-4-10/h3-4,11H,1-2H2
InChIKeyFDBOBVLOCQQIIJ-UHFFFAOYSA-N
MW163.13 g/mol
LogP-0.09
Rot. Bonds3

About 2,2-difluoro-3-(1,2,4-triazol-4-yl)propan-1-ol

2,2-difluoro-3-(1,2,4-triazol-4-yl)propan-1-ol (PubChem CID 106172503) has the molecular formula C5H7F2N3O and a molecular weight of 163.13 g/mol. Its IUPAC name is 2,2-difluoro-3-(1,2,4-triazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-(1,2,4-triazol-4-yl)propan-1-ol
PubChem CID106172503
Molecular FormulaC5H7F2N3O
Molecular Weight163.13 g/mol
Exact Mass163.06
IUPAC Name2,2-difluoro-3-(1,2,4-triazol-4-yl)propan-1-ol
SMILESOCC(F)(F)Cn1cnnc1
InChIInChI=1S/C5H7F2N3O/c6-5(7,2-11)1-10-3-8-9-4-10/h3-4,11H,1-2H2
InChIKeyFDBOBVLOCQQIIJ-UHFFFAOYSA-N
XLogP-0.09
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.13
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-(1,2,4-triazol-4-yl)propan-1-ol?
The IUPAC name of 2,2-difluoro-3-(1,2,4-triazol-4-yl)propan-1-ol (CID 106172503) is 2,2-difluoro-3-(1,2,4-triazol-4-yl)propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-(1,2,4-triazol-4-yl)propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-(1,2,4-triazol-4-yl)propan-1-ol is OCC(F)(F)Cn1cnnc1.
What is the InChIKey of 2,2-difluoro-3-(1,2,4-triazol-4-yl)propan-1-ol?
The InChIKey is FDBOBVLOCQQIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2N3O/c6-5(7,2-11)1-10-3-8-9-4-10/h3-4,11H,1-2H2.
What are the key properties of 2,2-difluoro-3-(1,2,4-triazol-4-yl)propan-1-ol?
2,2-difluoro-3-(1,2,4-triazol-4-yl)propan-1-ol has a molecular weight of 163.13 g/mol, XLogP of -0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(1,2,4-triazol-4-yl)propan-1-ol is sourced from PubChem (CID 106172503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).