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

C15H18F2N4O2 — CID 135209009

IUPAC2-(2,4-difluorophenyl)-1-morpholin-4-yl-3-(1,2,4-triazol-1-yl)propan-2-ol
SMILESOC(CN1CCOCC1)(Cn1cncn1)c1ccc(F)cc1F
InChIInChI=1S/C15H18F2N4O2/c16-12-1-2-13(14(17)7-12)15(22,9-21-11-18-10-19-21)8-20-3-5-23-6-4-20/h1-2,7,10-11,22H,3-6,8-9H2
InChIKeyWBHIEMLMEMNRMW-UHFFFAOYSA-N
MW324.33 g/mol
LogP0.78
Rot. Bonds5

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

2-(2,4-difluorophenyl)-1-morpholin-4-yl-3-(1,2,4-triazol-1-yl)propan-2-ol (PubChem CID 135209009) has the molecular formula C15H18F2N4O2 and a molecular weight of 324.33 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-1-morpholin-4-yl-3-(1,2,4-triazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-1-morpholin-4-yl-3-(1,2,4-triazol-1-yl)propan-2-ol
PubChem CID135209009
Molecular FormulaC15H18F2N4O2
Molecular Weight324.33 g/mol
Exact Mass324.14
IUPAC Name2-(2,4-difluorophenyl)-1-morpholin-4-yl-3-(1,2,4-triazol-1-yl)propan-2-ol
SMILESOC(CN1CCOCC1)(Cn1cncn1)c1ccc(F)cc1F
InChIInChI=1S/C15H18F2N4O2/c16-12-1-2-13(14(17)7-12)15(22,9-21-11-18-10-19-21)8-20-3-5-23-6-4-20/h1-2,7,10-11,22H,3-6,8-9H2
InChIKeyWBHIEMLMEMNRMW-UHFFFAOYSA-N
XLogP0.78
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-1-morpholin-4-yl-3-(1,2,4-triazol-1-yl)propan-2-ol?
The IUPAC name of 2-(2,4-difluorophenyl)-1-morpholin-4-yl-3-(1,2,4-triazol-1-yl)propan-2-ol (CID 135209009) is 2-(2,4-difluorophenyl)-1-morpholin-4-yl-3-(1,2,4-triazol-1-yl)propan-2-ol.
What is the SMILES notation for 2-(2,4-difluorophenyl)-1-morpholin-4-yl-3-(1,2,4-triazol-1-yl)propan-2-ol?
The canonical SMILES for 2-(2,4-difluorophenyl)-1-morpholin-4-yl-3-(1,2,4-triazol-1-yl)propan-2-ol is OC(CN1CCOCC1)(Cn1cncn1)c1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)-1-morpholin-4-yl-3-(1,2,4-triazol-1-yl)propan-2-ol?
The InChIKey is WBHIEMLMEMNRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N4O2/c16-12-1-2-13(14(17)7-12)15(22,9-21-11-18-10-19-21)8-20-3-5-23-6-4-20/h1-2,7,10-11,22H,3-6,8-9H2.
What are the key properties of 2-(2,4-difluorophenyl)-1-morpholin-4-yl-3-(1,2,4-triazol-1-yl)propan-2-ol?
2-(2,4-difluorophenyl)-1-morpholin-4-yl-3-(1,2,4-triazol-1-yl)propan-2-ol has a molecular weight of 324.33 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-1-morpholin-4-yl-3-(1,2,4-triazol-1-yl)propan-2-ol is sourced from PubChem (CID 135209009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).