1,2,2-trifluoro-2-[5-(1,1,1,2,3-pentafluoro-3-morpholin-4-ylpropan-2-yl)oxolan-2-yl]ethanol

C13H17F8NO3 — CID 130427330

IUPAC1,2,2-trifluoro-2-[5-(1,1,1,2,3-pentafluoro-3-morpholin-4-ylpropan-2-yl)oxolan-2-yl]ethanol
SMILESOC(F)C(F)(F)C1CCC(C(F)(C(F)N2CCOCC2)C(F)(F)F)O1
InChIInChI=1S/C13H17F8NO3/c14-9(22-3-5-24-6-4-22)11(16,13(19,20)21)7-1-2-8(25-7)12(17,18)10(15)23/h7-10,23H,1-6H2
InChIKeyGWFGXDDSFGLBEW-UHFFFAOYSA-N
MW387.27 g/mol
LogP2.36
Rot. Bonds5

About 1,2,2-trifluoro-2-[5-(1,1,1,2,3-pentafluoro-3-morpholin-4-ylpropan-2-yl)oxolan-2-yl]ethanol

1,2,2-trifluoro-2-[5-(1,1,1,2,3-pentafluoro-3-morpholin-4-ylpropan-2-yl)oxolan-2-yl]ethanol (PubChem CID 130427330) has the molecular formula C13H17F8NO3 and a molecular weight of 387.27 g/mol. Its IUPAC name is 1,2,2-trifluoro-2-[5-(1,1,1,2,3-pentafluoro-3-morpholin-4-ylpropan-2-yl)oxolan-2-yl]ethanol.

Molecular Properties

Compound Name1,2,2-trifluoro-2-[5-(1,1,1,2,3-pentafluoro-3-morpholin-4-ylpropan-2-yl)oxolan-2-yl]ethanol
PubChem CID130427330
Molecular FormulaC13H17F8NO3
Molecular Weight387.27 g/mol
Exact Mass387.11
IUPAC Name1,2,2-trifluoro-2-[5-(1,1,1,2,3-pentafluoro-3-morpholin-4-ylpropan-2-yl)oxolan-2-yl]ethanol
SMILESOC(F)C(F)(F)C1CCC(C(F)(C(F)N2CCOCC2)C(F)(F)F)O1
InChIInChI=1S/C13H17F8NO3/c14-9(22-3-5-24-6-4-22)11(16,13(19,20)21)7-1-2-8(25-7)12(17,18)10(15)23/h7-10,23H,1-6H2
InChIKeyGWFGXDDSFGLBEW-UHFFFAOYSA-N
XLogP2.36
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.27
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 1,2,2-trifluoro-2-[5-(1,1,1,2,3-pentafluoro-3-morpholin-4-ylpropan-2-yl)oxolan-2-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

4,4,6,6,7,7,8,9,9,9-Decafluoro-1-morpholin-4-yl-8-(trifluoromethyl)nonan-2-ol
CID 58855395
4,4,6,6,7,7,8,8,9,9,9-Undecafluoro-1-morpholin-4-ylnonan-2-ol
CID 58855406
4,4,6,6,7,7,8,8,9,9,10,10,11,11,11-Pentadecafluoro-1-morpholin-4-ylundecan-2-ol
CID 58855426
4,4,6,6,7,7,8,8,9,9,10,11,11,11-Tetradecafluoro-1-morpholin-4-yl-10-(trifluoromethyl)undecan-2-ol
CID 58855487
4,4,6,7,7,7-Hexafluoro-1-morpholin-4-yl-6-(trifluoromethyl)heptan-2-ol
CID 58855510
4,4,5,5,6,7,7,7-Octafluoro-1-morpholin-4-yl-6-(trifluoromethyl)heptan-2-ol
CID 89220129
4,4,5,5,6,6,7,7,8,9,9,9-Dodecafluoro-1-morpholin-4-yl-8-(trifluoromethyl)nonan-2-ol
CID 89220132
4,4,7,7,9,9,10,11,11,11-Decafluoro-1-morpholin-4-yl-10-(trifluoromethyl)undecan-2-ol
CID 89623509
4,4,7,7,9,9,9-Heptafluoro-1-morpholin-4-ylnonan-2-ol
CID 89623752
4,4,7,7,9,9,10,10,11,11,11-Undecafluoro-1-morpholin-4-ylundecan-2-ol
CID 89623754
4,4,7,7,8,9,9,9-Octafluoro-1-morpholin-4-yl-8-(trifluoromethyl)nonan-2-ol
CID 89623964
4,4,5,5,6,6,7,7,8,8,9-Undecafluoro-1-morpholin-4-ylnonan-2-ol
CID 118438299

Frequently Asked Questions

What is the IUPAC name of 1,2,2-trifluoro-2-[5-(1,1,1,2,3-pentafluoro-3-morpholin-4-ylpropan-2-yl)oxolan-2-yl]ethanol?
The IUPAC name of 1,2,2-trifluoro-2-[5-(1,1,1,2,3-pentafluoro-3-morpholin-4-ylpropan-2-yl)oxolan-2-yl]ethanol (CID 130427330) is 1,2,2-trifluoro-2-[5-(1,1,1,2,3-pentafluoro-3-morpholin-4-ylpropan-2-yl)oxolan-2-yl]ethanol.
What is the SMILES notation for 1,2,2-trifluoro-2-[5-(1,1,1,2,3-pentafluoro-3-morpholin-4-ylpropan-2-yl)oxolan-2-yl]ethanol?
The canonical SMILES for 1,2,2-trifluoro-2-[5-(1,1,1,2,3-pentafluoro-3-morpholin-4-ylpropan-2-yl)oxolan-2-yl]ethanol is OC(F)C(F)(F)C1CCC(C(F)(C(F)N2CCOCC2)C(F)(F)F)O1.
What is the InChIKey of 1,2,2-trifluoro-2-[5-(1,1,1,2,3-pentafluoro-3-morpholin-4-ylpropan-2-yl)oxolan-2-yl]ethanol?
The InChIKey is GWFGXDDSFGLBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F8NO3/c14-9(22-3-5-24-6-4-22)11(16,13(19,20)21)7-1-2-8(25-7)12(17,18)10(15)23/h7-10,23H,1-6H2.
What are the key properties of 1,2,2-trifluoro-2-[5-(1,1,1,2,3-pentafluoro-3-morpholin-4-ylpropan-2-yl)oxolan-2-yl]ethanol?
1,2,2-trifluoro-2-[5-(1,1,1,2,3-pentafluoro-3-morpholin-4-ylpropan-2-yl)oxolan-2-yl]ethanol has a molecular weight of 387.27 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-trifluoro-2-[5-(1,1,1,2,3-pentafluoro-3-morpholin-4-ylpropan-2-yl)oxolan-2-yl]ethanol is sourced from PubChem (CID 130427330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).