1,1,1-trifluoro-3-morpholin-4-yl-2-(1-phenylindazol-5-yl)propan-2-ol

C20H20F3N3O2 — CID 15980905

IUPAC1,1,1-trifluoro-3-morpholin-4-yl-2-(1-phenylindazol-5-yl)propan-2-ol
SMILESOC(CN1CCOCC1)(c1ccc2c(cnn2-c2ccccc2)c1)C(F)(F)F
InChIInChI=1S/C20H20F3N3O2/c21-20(22,23)19(27,14-25-8-10-28-11-9-25)16-6-7-18-15(12-16)13-24-26(18)17-4-2-1-3-5-17/h1-7,12-13,27H,8-11,14H2
InChIKeyOAGMCLUMDMKEHY-UHFFFAOYSA-N
MW391.39 g/mol
LogP3.11
Rot. Bonds4

About 1,1,1-trifluoro-3-morpholin-4-yl-2-(1-phenylindazol-5-yl)propan-2-ol

1,1,1-trifluoro-3-morpholin-4-yl-2-(1-phenylindazol-5-yl)propan-2-ol (PubChem CID 15980905) has the molecular formula C20H20F3N3O2 and a molecular weight of 391.39 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-morpholin-4-yl-2-(1-phenylindazol-5-yl)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-morpholin-4-yl-2-(1-phenylindazol-5-yl)propan-2-ol
PubChem CID15980905
Molecular FormulaC20H20F3N3O2
Molecular Weight391.39 g/mol
Exact Mass391.15
IUPAC Name1,1,1-trifluoro-3-morpholin-4-yl-2-(1-phenylindazol-5-yl)propan-2-ol
SMILESOC(CN1CCOCC1)(c1ccc2c(cnn2-c2ccccc2)c1)C(F)(F)F
InChIInChI=1S/C20H20F3N3O2/c21-20(22,23)19(27,14-25-8-10-28-11-9-25)16-6-7-18-15(12-16)13-24-26(18)17-4-2-1-3-5-17/h1-7,12-13,27H,8-11,14H2
InChIKeyOAGMCLUMDMKEHY-UHFFFAOYSA-N
XLogP3.11
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-morpholin-4-yl-2-(1-phenylindazol-5-yl)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-morpholin-4-yl-2-(1-phenylindazol-5-yl)propan-2-ol (CID 15980905) is 1,1,1-trifluoro-3-morpholin-4-yl-2-(1-phenylindazol-5-yl)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-morpholin-4-yl-2-(1-phenylindazol-5-yl)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-morpholin-4-yl-2-(1-phenylindazol-5-yl)propan-2-ol is OC(CN1CCOCC1)(c1ccc2c(cnn2-c2ccccc2)c1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-morpholin-4-yl-2-(1-phenylindazol-5-yl)propan-2-ol?
The InChIKey is OAGMCLUMDMKEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O2/c21-20(22,23)19(27,14-25-8-10-28-11-9-25)16-6-7-18-15(12-16)13-24-26(18)17-4-2-1-3-5-17/h1-7,12-13,27H,8-11,14H2.
What are the key properties of 1,1,1-trifluoro-3-morpholin-4-yl-2-(1-phenylindazol-5-yl)propan-2-ol?
1,1,1-trifluoro-3-morpholin-4-yl-2-(1-phenylindazol-5-yl)propan-2-ol has a molecular weight of 391.39 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-morpholin-4-yl-2-(1-phenylindazol-5-yl)propan-2-ol is sourced from PubChem (CID 15980905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).