1,1,2,3-tetrafluoro-1-(1,2,4-triazol-1-yl)butan-2-ol

C6H7F4N3O — CID 139652720

IUPAC1,1,2,3-tetrafluoro-1-(1,2,4-triazol-1-yl)butan-2-ol
SMILESCC(F)C(O)(F)C(F)(F)n1cncn1
InChIInChI=1S/C6H7F4N3O/c1-4(7)5(8,14)6(9,10)13-3-11-2-12-13/h2-4,14H,1H3
InChIKeyHFSHXJNOZCJQDO-UHFFFAOYSA-N
MW213.13 g/mol
LogP0.84
Rot. Bonds3

About 1,1,2,3-tetrafluoro-1-(1,2,4-triazol-1-yl)butan-2-ol

1,1,2,3-tetrafluoro-1-(1,2,4-triazol-1-yl)butan-2-ol (PubChem CID 139652720) has the molecular formula C6H7F4N3O and a molecular weight of 213.13 g/mol. Its IUPAC name is 1,1,2,3-tetrafluoro-1-(1,2,4-triazol-1-yl)butan-2-ol.

Molecular Properties

Compound Name1,1,2,3-tetrafluoro-1-(1,2,4-triazol-1-yl)butan-2-ol
PubChem CID139652720
Molecular FormulaC6H7F4N3O
Molecular Weight213.13 g/mol
Exact Mass213.05
IUPAC Name1,1,2,3-tetrafluoro-1-(1,2,4-triazol-1-yl)butan-2-ol
SMILESCC(F)C(O)(F)C(F)(F)n1cncn1
InChIInChI=1S/C6H7F4N3O/c1-4(7)5(8,14)6(9,10)13-3-11-2-12-13/h2-4,14H,1H3
InChIKeyHFSHXJNOZCJQDO-UHFFFAOYSA-N
XLogP0.84
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.13
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1,1,2,3-tetrafluoro-1-(1,2,4-triazol-1-yl)butan-2-ol with MolForge

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

Launch Full Analysis

Related Compounds

1,1,1-trifluoro-3-(1H-1,2,4-triazol-1-yl)propan-2-ol
CID 63900635
1,1,1,3,3,3-Hexafluoro-2-[[1-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-1,2,4-triazol-4-ium-4-yl]methyl]propan-2-olate
CID 145916712
1,1,1,3,3,4,4,5,5,5-Decafluoro-2-(1,2,4-triazol-1-ylmethyl)pentan-2-ol
CID 20437741
1,1-Difluoro-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 21249467
1,1-Difluoro-1-(1,2,4-triazol-1-yl)propan-2-ol
CID 89310336
1,1,3-Trifluoro-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 117763769
1-(5-Fluoro-1,2,4-triazol-1-yl)butan-2-ol
CID 141134678
4,4,4-Trifluoro-3-(1,2,4-triazol-1-yl)butan-2-ol
CID 175511986
2-Methyl-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 18713642
2-Iodo-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 144730657

Frequently Asked Questions

What is the IUPAC name of 1,1,2,3-tetrafluoro-1-(1,2,4-triazol-1-yl)butan-2-ol?
The IUPAC name of 1,1,2,3-tetrafluoro-1-(1,2,4-triazol-1-yl)butan-2-ol (CID 139652720) is 1,1,2,3-tetrafluoro-1-(1,2,4-triazol-1-yl)butan-2-ol.
What is the SMILES notation for 1,1,2,3-tetrafluoro-1-(1,2,4-triazol-1-yl)butan-2-ol?
The canonical SMILES for 1,1,2,3-tetrafluoro-1-(1,2,4-triazol-1-yl)butan-2-ol is CC(F)C(O)(F)C(F)(F)n1cncn1.
What is the InChIKey of 1,1,2,3-tetrafluoro-1-(1,2,4-triazol-1-yl)butan-2-ol?
The InChIKey is HFSHXJNOZCJQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F4N3O/c1-4(7)5(8,14)6(9,10)13-3-11-2-12-13/h2-4,14H,1H3.
What are the key properties of 1,1,2,3-tetrafluoro-1-(1,2,4-triazol-1-yl)butan-2-ol?
1,1,2,3-tetrafluoro-1-(1,2,4-triazol-1-yl)butan-2-ol has a molecular weight of 213.13 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3-tetrafluoro-1-(1,2,4-triazol-1-yl)butan-2-ol is sourced from PubChem (CID 139652720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).