1-[1-[3-(difluoromethyl)-1-bicyclo[1.1.0]butanyl]triazol-4-yl]ethanol

C9H11F2N3O — CID 177199870

IUPAC1-[1-[3-(difluoromethyl)-1-bicyclo[1.1.0]butanyl]triazol-4-yl]ethanol
SMILESCC(O)c1cn(C23CC2(C(F)F)C3)nn1
InChIInChI=1S/C9H11F2N3O/c1-5(15)6-2-14(13-12-6)9-3-8(9,4-9)7(10)11/h2,5,7,15H,3-4H2,1H3
InChIKeyLADGJBSHVNOKFX-UHFFFAOYSA-N
MW215.20 g/mol
LogP1.09
Rot. Bonds3

About 1-[1-[3-(difluoromethyl)-1-bicyclo[1.1.0]butanyl]triazol-4-yl]ethanol

1-[1-[3-(difluoromethyl)-1-bicyclo[1.1.0]butanyl]triazol-4-yl]ethanol (PubChem CID 177199870) has the molecular formula C9H11F2N3O and a molecular weight of 215.20 g/mol. Its IUPAC name is 1-[1-[3-(difluoromethyl)-1-bicyclo[1.1.0]butanyl]triazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[3-(difluoromethyl)-1-bicyclo[1.1.0]butanyl]triazol-4-yl]ethanol
PubChem CID177199870
Molecular FormulaC9H11F2N3O
Molecular Weight215.20 g/mol
Exact Mass215.09
IUPAC Name1-[1-[3-(difluoromethyl)-1-bicyclo[1.1.0]butanyl]triazol-4-yl]ethanol
SMILESCC(O)c1cn(C23CC2(C(F)F)C3)nn1
InChIInChI=1S/C9H11F2N3O/c1-5(15)6-2-14(13-12-6)9-3-8(9,4-9)7(10)11/h2,5,7,15H,3-4H2,1H3
InChIKeyLADGJBSHVNOKFX-UHFFFAOYSA-N
XLogP1.09
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(difluoromethyl)-1-bicyclo[1.1.0]butanyl]triazol-4-yl]ethanol?
The IUPAC name of 1-[1-[3-(difluoromethyl)-1-bicyclo[1.1.0]butanyl]triazol-4-yl]ethanol (CID 177199870) is 1-[1-[3-(difluoromethyl)-1-bicyclo[1.1.0]butanyl]triazol-4-yl]ethanol.
What is the SMILES notation for 1-[1-[3-(difluoromethyl)-1-bicyclo[1.1.0]butanyl]triazol-4-yl]ethanol?
The canonical SMILES for 1-[1-[3-(difluoromethyl)-1-bicyclo[1.1.0]butanyl]triazol-4-yl]ethanol is CC(O)c1cn(C23CC2(C(F)F)C3)nn1.
What is the InChIKey of 1-[1-[3-(difluoromethyl)-1-bicyclo[1.1.0]butanyl]triazol-4-yl]ethanol?
The InChIKey is LADGJBSHVNOKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N3O/c1-5(15)6-2-14(13-12-6)9-3-8(9,4-9)7(10)11/h2,5,7,15H,3-4H2,1H3.
What are the key properties of 1-[1-[3-(difluoromethyl)-1-bicyclo[1.1.0]butanyl]triazol-4-yl]ethanol?
1-[1-[3-(difluoromethyl)-1-bicyclo[1.1.0]butanyl]triazol-4-yl]ethanol has a molecular weight of 215.20 g/mol, XLogP of 1.09, 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[1.1.0]butanyl]triazol-4-yl]ethanol is sourced from PubChem (CID 177199870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).