1-[1-[3-(difluoromethyl)-1-bicyclo[1.1.1]pentanyl]triazol-4-yl]ethanol

C10H13F2N3O — CID 177199659

IUPAC1-[1-[3-(difluoromethyl)-1-bicyclo[1.1.1]pentanyl]triazol-4-yl]ethanol
SMILESCC(O)c1cn(C23CC(C(F)F)(C2)C3)nn1
InChIInChI=1S/C10H13F2N3O/c1-6(16)7-2-15(14-13-7)10-3-9(4-10,5-10)8(11)12/h2,6,8,16H,3-5H2,1H3
InChIKeyAKNJKZSXTOFSRR-UHFFFAOYSA-N
MW229.23 g/mol
LogP1.48
Rot. Bonds3

About 1-[1-[3-(difluoromethyl)-1-bicyclo[1.1.1]pentanyl]triazol-4-yl]ethanol

1-[1-[3-(difluoromethyl)-1-bicyclo[1.1.1]pentanyl]triazol-4-yl]ethanol (PubChem CID 177199659) has the molecular formula C10H13F2N3O and a molecular weight of 229.23 g/mol. Its IUPAC name is 1-[1-[3-(difluoromethyl)-1-bicyclo[1.1.1]pentanyl]triazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[3-(difluoromethyl)-1-bicyclo[1.1.1]pentanyl]triazol-4-yl]ethanol
PubChem CID177199659
Molecular FormulaC10H13F2N3O
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Name1-[1-[3-(difluoromethyl)-1-bicyclo[1.1.1]pentanyl]triazol-4-yl]ethanol
SMILESCC(O)c1cn(C23CC(C(F)F)(C2)C3)nn1
InChIInChI=1S/C10H13F2N3O/c1-6(16)7-2-15(14-13-7)10-3-9(4-10,5-10)8(11)12/h2,6,8,16H,3-5H2,1H3
InChIKeyAKNJKZSXTOFSRR-UHFFFAOYSA-N
XLogP1.48
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-[3-(difluoromethyl)-1-bicyclo[1.1.1]pentanyl]triazol-4-yl]ethanol 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-(Difluoromethyl)triazol-4-yl]ethanol
CID 117874690
3-(4-Tert-butyltriazol-1-yl)-1,1,1-trifluoropropan-2-ol
CID 124179966
2,2,2-Trifluoro-1-(1-propan-2-yltriazol-4-yl)ethanol
CID 130549069
2,2,2-trifluoro-1-(1-methyl-1H-1,2,3-triazol-4-yl)ethan-1-ol
CID 130599064
(1S)-1-[1-[1-(difluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]triazol-4-yl]ethanol
CID 177199742
1-[1-[3-(Difluoromethyl)-1-bicyclo[1.1.0]butanyl]triazol-4-yl]ethanol
CID 177199870
1-(difluoromethyl)-3-[4-[(1S)-1-hydroxyethyl]triazol-1-yl]cyclobutan-1-ol
CID 177199992
1-[1-[3-(2,2,2-Trifluoroethoxy)propyl]triazol-4-yl]ethanol
CID 81443843
1,1,1-Trifluoro-3-[4-(1-hydroxyethyl)triazol-1-yl]propan-2-ol
CID 81443893
1-[1-(2,2-Difluoroethyl)triazol-4-yl]ethanol
CID 81443906
1-[1-(3-Fluoropropyl)triazol-4-yl]ethanol
CID 81444120
1-[1-(3,3,3-Trifluoropropyl)triazol-4-yl]ethanol
CID 81444412

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(difluoromethyl)-1-bicyclo[1.1.1]pentanyl]triazol-4-yl]ethanol?
The IUPAC name of 1-[1-[3-(difluoromethyl)-1-bicyclo[1.1.1]pentanyl]triazol-4-yl]ethanol (CID 177199659) is 1-[1-[3-(difluoromethyl)-1-bicyclo[1.1.1]pentanyl]triazol-4-yl]ethanol.
What is the SMILES notation for 1-[1-[3-(difluoromethyl)-1-bicyclo[1.1.1]pentanyl]triazol-4-yl]ethanol?
The canonical SMILES for 1-[1-[3-(difluoromethyl)-1-bicyclo[1.1.1]pentanyl]triazol-4-yl]ethanol is CC(O)c1cn(C23CC(C(F)F)(C2)C3)nn1.
What is the InChIKey of 1-[1-[3-(difluoromethyl)-1-bicyclo[1.1.1]pentanyl]triazol-4-yl]ethanol?
The InChIKey is AKNJKZSXTOFSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N3O/c1-6(16)7-2-15(14-13-7)10-3-9(4-10,5-10)8(11)12/h2,6,8,16H,3-5H2,1H3.
What are the key properties of 1-[1-[3-(difluoromethyl)-1-bicyclo[1.1.1]pentanyl]triazol-4-yl]ethanol?
1-[1-[3-(difluoromethyl)-1-bicyclo[1.1.1]pentanyl]triazol-4-yl]ethanol has a molecular weight of 229.23 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(difluoromethyl)-1-bicyclo[1.1.1]pentanyl]triazol-4-yl]ethanol is sourced from PubChem (CID 177199659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).