2,2-difluoro-1-(1H-1,2,4-triazol-5-yl)ethanol

C4H5F2N3O — CID 131511741

IUPAC2,2-difluoro-1-(1H-1,2,4-triazol-5-yl)ethanol
SMILESOC(c1ncn[nH]1)C(F)F
InChIInChI=1S/C4H5F2N3O/c5-3(6)2(10)4-7-1-8-9-4/h1-3,10H,(H,7,8,9)
InChIKeyQPBJPGQZOLCDQX-UHFFFAOYSA-N
MW149.10 g/mol
LogP0.10
Rot. Bonds2

About 2,2-difluoro-1-(1H-1,2,4-triazol-5-yl)ethanol

2,2-difluoro-1-(1H-1,2,4-triazol-5-yl)ethanol (PubChem CID 131511741) has the molecular formula C4H5F2N3O and a molecular weight of 149.10 g/mol. Its IUPAC name is 2,2-difluoro-1-(1H-1,2,4-triazol-5-yl)ethanol.

Molecular Properties

Compound Name2,2-difluoro-1-(1H-1,2,4-triazol-5-yl)ethanol
PubChem CID131511741
Molecular FormulaC4H5F2N3O
Molecular Weight149.10 g/mol
Exact Mass149.04
IUPAC Name2,2-difluoro-1-(1H-1,2,4-triazol-5-yl)ethanol
SMILESOC(c1ncn[nH]1)C(F)F
InChIInChI=1S/C4H5F2N3O/c5-3(6)2(10)4-7-1-8-9-4/h1-3,10H,(H,7,8,9)
InChIKeyQPBJPGQZOLCDQX-UHFFFAOYSA-N
XLogP0.10
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.10
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(1H-1,2,4-triazol-5-yl)ethanol?
The IUPAC name of 2,2-difluoro-1-(1H-1,2,4-triazol-5-yl)ethanol (CID 131511741) is 2,2-difluoro-1-(1H-1,2,4-triazol-5-yl)ethanol.
What is the SMILES notation for 2,2-difluoro-1-(1H-1,2,4-triazol-5-yl)ethanol?
The canonical SMILES for 2,2-difluoro-1-(1H-1,2,4-triazol-5-yl)ethanol is OC(c1ncn[nH]1)C(F)F.
What is the InChIKey of 2,2-difluoro-1-(1H-1,2,4-triazol-5-yl)ethanol?
The InChIKey is QPBJPGQZOLCDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F2N3O/c5-3(6)2(10)4-7-1-8-9-4/h1-3,10H,(H,7,8,9).
What are the key properties of 2,2-difluoro-1-(1H-1,2,4-triazol-5-yl)ethanol?
2,2-difluoro-1-(1H-1,2,4-triazol-5-yl)ethanol has a molecular weight of 149.10 g/mol, XLogP of 0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(1H-1,2,4-triazol-5-yl)ethanol is sourced from PubChem (CID 131511741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).