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

C11H19F2N3O2 — CID 103147703

IUPAC4-(2,2-difluoroethoxy)-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-ol
SMILESCC(C)n1ncnc1CC(O)CCOCC(F)F
InChIInChI=1S/C11H19F2N3O2/c1-8(2)16-11(14-7-15-16)5-9(17)3-4-18-6-10(12)13/h7-10,17H,3-6H2,1-2H3
InChIKeyQOCYOAQQAXJFAZ-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.43
Rot. Bonds8

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

4-(2,2-difluoroethoxy)-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-ol (PubChem CID 103147703) has the molecular formula C11H19F2N3O2 and a molecular weight of 263.29 g/mol. Its IUPAC name is 4-(2,2-difluoroethoxy)-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-ol.

Molecular Properties

Compound Name4-(2,2-difluoroethoxy)-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-ol
PubChem CID103147703
Molecular FormulaC11H19F2N3O2
Molecular Weight263.29 g/mol
Exact Mass263.14
IUPAC Name4-(2,2-difluoroethoxy)-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-ol
SMILESCC(C)n1ncnc1CC(O)CCOCC(F)F
InChIInChI=1S/C11H19F2N3O2/c1-8(2)16-11(14-7-15-16)5-9(17)3-4-18-6-10(12)13/h7-10,17H,3-6H2,1-2H3
InChIKeyQOCYOAQQAXJFAZ-UHFFFAOYSA-N
XLogP1.43
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethoxy)-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-ol?
The IUPAC name of 4-(2,2-difluoroethoxy)-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-ol (CID 103147703) is 4-(2,2-difluoroethoxy)-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-ol.
What is the SMILES notation for 4-(2,2-difluoroethoxy)-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-ol?
The canonical SMILES for 4-(2,2-difluoroethoxy)-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-ol is CC(C)n1ncnc1CC(O)CCOCC(F)F.
What is the InChIKey of 4-(2,2-difluoroethoxy)-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-ol?
The InChIKey is QOCYOAQQAXJFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2N3O2/c1-8(2)16-11(14-7-15-16)5-9(17)3-4-18-6-10(12)13/h7-10,17H,3-6H2,1-2H3.
What are the key properties of 4-(2,2-difluoroethoxy)-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-ol?
4-(2,2-difluoroethoxy)-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-ol has a molecular weight of 263.29 g/mol, XLogP of 1.43, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethoxy)-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-ol is sourced from PubChem (CID 103147703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).