2-[3-(difluoromethyl)-1H-1,2,4-triazol-5-yl]ethanol

C5H7F2N3O — CID 129320210

IUPAC2-[3-(difluoromethyl)-1H-1,2,4-triazol-5-yl]ethanol
SMILESOCCc1nc(C(F)F)n[nH]1
InChIInChI=1S/C5H7F2N3O/c6-4(7)5-8-3(1-2-11)9-10-5/h4,11H,1-2H2,(H,8,9,10)
InChIKeyHFWWSDOEDNLIOZ-UHFFFAOYSA-N
MW163.13 g/mol
LogP0.28
Rot. Bonds3

About 2-[3-(difluoromethyl)-1H-1,2,4-triazol-5-yl]ethanol

2-[3-(difluoromethyl)-1H-1,2,4-triazol-5-yl]ethanol (PubChem CID 129320210) has the molecular formula C5H7F2N3O and a molecular weight of 163.13 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)-1H-1,2,4-triazol-5-yl]ethanol.

Molecular Properties

Compound Name2-[3-(difluoromethyl)-1H-1,2,4-triazol-5-yl]ethanol
PubChem CID129320210
Molecular FormulaC5H7F2N3O
Molecular Weight163.13 g/mol
Exact Mass163.06
IUPAC Name2-[3-(difluoromethyl)-1H-1,2,4-triazol-5-yl]ethanol
SMILESOCCc1nc(C(F)F)n[nH]1
InChIInChI=1S/C5H7F2N3O/c6-4(7)5-8-3(1-2-11)9-10-5/h4,11H,1-2H2,(H,8,9,10)
InChIKeyHFWWSDOEDNLIOZ-UHFFFAOYSA-N
XLogP0.28
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.13
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethyl)-1H-1,2,4-triazol-5-yl]ethanol?
The IUPAC name of 2-[3-(difluoromethyl)-1H-1,2,4-triazol-5-yl]ethanol (CID 129320210) is 2-[3-(difluoromethyl)-1H-1,2,4-triazol-5-yl]ethanol.
What is the SMILES notation for 2-[3-(difluoromethyl)-1H-1,2,4-triazol-5-yl]ethanol?
The canonical SMILES for 2-[3-(difluoromethyl)-1H-1,2,4-triazol-5-yl]ethanol is OCCc1nc(C(F)F)n[nH]1.
What is the InChIKey of 2-[3-(difluoromethyl)-1H-1,2,4-triazol-5-yl]ethanol?
The InChIKey is HFWWSDOEDNLIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2N3O/c6-4(7)5-8-3(1-2-11)9-10-5/h4,11H,1-2H2,(H,8,9,10).
What are the key properties of 2-[3-(difluoromethyl)-1H-1,2,4-triazol-5-yl]ethanol?
2-[3-(difluoromethyl)-1H-1,2,4-triazol-5-yl]ethanol has a molecular weight of 163.13 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethyl)-1H-1,2,4-triazol-5-yl]ethanol is sourced from PubChem (CID 129320210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).