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

C5H7F2N3O — CID 21249467

IUPAC1,1-difluoro-3-(1,2,4-triazol-1-yl)propan-2-ol
SMILESOC(Cn1cncn1)C(F)F
InChIInChI=1S/C5H7F2N3O/c6-5(7)4(11)1-10-3-8-2-9-10/h2-5,11H,1H2
InChIKeyPTLCNVMMLRQAIZ-UHFFFAOYSA-N
MW163.13 g/mol
LogP-0.10
Rot. Bonds3

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

1,1-difluoro-3-(1,2,4-triazol-1-yl)propan-2-ol (PubChem CID 21249467) has the molecular formula C5H7F2N3O and a molecular weight of 163.13 g/mol. Its IUPAC name is 1,1-difluoro-3-(1,2,4-triazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-3-(1,2,4-triazol-1-yl)propan-2-ol
PubChem CID21249467
Molecular FormulaC5H7F2N3O
Molecular Weight163.13 g/mol
Exact Mass163.06
IUPAC Name1,1-difluoro-3-(1,2,4-triazol-1-yl)propan-2-ol
SMILESOC(Cn1cncn1)C(F)F
InChIInChI=1S/C5H7F2N3O/c6-5(7)4(11)1-10-3-8-2-9-10/h2-5,11H,1H2
InChIKeyPTLCNVMMLRQAIZ-UHFFFAOYSA-N
XLogP-0.10
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 ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 59990743
(2R)-3-hydroxy-2-methyl-4-(1,2,4-triazol-1-yl)butanethioamide
CID 142091668
(1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethanol
CID 51669163
1-(1,2-thiazol-5-yl)-2-(1,2,4-triazol-1-yl)ethanol
CID 130871558
1-[(2S)-2-methylbutyl]-1,2,4-triazole
CID 89197135
1-phenyl-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 19849797
2-methyl-3-(1,2,4-triazol-1-yl)propanamide
CID 63810853
4-(4-fluorophenyl)-1-(1,2,4-triazol-1-yl)but-3-en-2-ol
CID 67870604
4-(1,2,4-triazol-1-yl)butane-1,3-dithiol
CID 57273121
1-(1H-pyrrol-2-yl)-2-(1,2,4-triazol-1-yl)ethanol
CID 130979898
1-(2-fluoroethyl)-1,2,4-triazole
CID 18406854
1-(phosphanylideneamino)oxy-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 153427100

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-(1,2,4-triazol-1-yl)propan-2-ol?
The IUPAC name of 1,1-difluoro-3-(1,2,4-triazol-1-yl)propan-2-ol (CID 21249467) is 1,1-difluoro-3-(1,2,4-triazol-1-yl)propan-2-ol.
What is the SMILES notation for 1,1-difluoro-3-(1,2,4-triazol-1-yl)propan-2-ol?
The canonical SMILES for 1,1-difluoro-3-(1,2,4-triazol-1-yl)propan-2-ol is OC(Cn1cncn1)C(F)F.
What is the InChIKey of 1,1-difluoro-3-(1,2,4-triazol-1-yl)propan-2-ol?
The InChIKey is PTLCNVMMLRQAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2N3O/c6-5(7)4(11)1-10-3-8-2-9-10/h2-5,11H,1H2.
What are the key properties of 1,1-difluoro-3-(1,2,4-triazol-1-yl)propan-2-ol?
1,1-difluoro-3-(1,2,4-triazol-1-yl)propan-2-ol has a molecular weight of 163.13 g/mol, XLogP of -0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-(1,2,4-triazol-1-yl)propan-2-ol is sourced from PubChem (CID 21249467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).