4-[2-[5-(1,2-difluoro-1-morpholin-4-ylpropan-2-yl)oxolan-2-yl]-1,2,3,3,3-pentafluoropropyl]morpholine;4-[1,2,3,3,3-pentafluoro-2-(oxolan-2-yl)propyl]morpholine;trihydrofluoride

C29H46F15N3O5 — CID 159579864

IUPAC4-[2-[5-(1,2-difluoro-1-morpholin-4-ylpropan-2-yl)oxolan-2-yl]-1,2,3,3,3-pentafluoropropyl]morpholine;4-[1,2,3,3,3-pentafluoro-2-(oxolan-2-yl)propyl]morpholine;trihydrofluoride
SMILESCC(F)(C1CCC(C(F)(C(F)N2CCOCC2)C(F)(F)F)O1)C(F)N1CCOCC1.F.F.F.FC(N1CCOCC1)C(F)(C1CCCO1)C(F)(F)F
InChIInChI=1S/C18H27F7N2O3.C11H16F5NO2.3FH/c1-16(21,14(19)26-4-8-28-9-5-26)12-2-3-13(30-12)17(22,18(23,24)25)15(20)27-6-10-29-11-7-27;12-9(17-3-6-18-7-4-17)10(13,11(14,15)16)8-2-1-5-19-8;;;/h12-15H,2-11H2,1H3;8-9H,1-7H2;3*1H
InChIKeyMIWNSRRHRQJPPW-UHFFFAOYSA-N
MW801.67 g/mol
LogP5.31
Rot. Bonds9

About 4-[2-[5-(1,2-difluoro-1-morpholin-4-ylpropan-2-yl)oxolan-2-yl]-1,2,3,3,3-pentafluoropropyl]morpholine;4-[1,2,3,3,3-pentafluoro-2-(oxolan-2-yl)propyl]morpholine;trihydrofluoride

4-[2-[5-(1,2-difluoro-1-morpholin-4-ylpropan-2-yl)oxolan-2-yl]-1,2,3,3,3-pentafluoropropyl]morpholine;4-[1,2,3,3,3-pentafluoro-2-(oxolan-2-yl)propyl]morpholine;trihydrofluoride (PubChem CID 159579864) has the molecular formula C29H46F15N3O5 and a molecular weight of 801.67 g/mol. Its IUPAC name is 4-[2-[5-(1,2-difluoro-1-morpholin-4-ylpropan-2-yl)oxolan-2-yl]-1,2,3,3,3-pentafluoropropyl]morpholine;4-[1,2,3,3,3-pentafluoro-2-(oxolan-2-yl)propyl]morpholine;trihydrofluoride.

Molecular Properties

Compound Name4-[2-[5-(1,2-difluoro-1-morpholin-4-ylpropan-2-yl)oxolan-2-yl]-1,2,3,3,3-pentafluoropropyl]morpholine;4-[1,2,3,3,3-pentafluoro-2-(oxolan-2-yl)propyl]morpholine;trihydrofluoride
PubChem CID159579864
Molecular FormulaC29H46F15N3O5
Molecular Weight801.67 g/mol
Exact Mass801.32
IUPAC Name4-[2-[5-(1,2-difluoro-1-morpholin-4-ylpropan-2-yl)oxolan-2-yl]-1,2,3,3,3-pentafluoropropyl]morpholine;4-[1,2,3,3,3-pentafluoro-2-(oxolan-2-yl)propyl]morpholine;trihydrofluoride
SMILESCC(F)(C1CCC(C(F)(C(F)N2CCOCC2)C(F)(F)F)O1)C(F)N1CCOCC1.F.F.F.FC(N1CCOCC1)C(F)(C1CCCO1)C(F)(F)F
InChIInChI=1S/C18H27F7N2O3.C11H16F5NO2.3FH/c1-16(21,14(19)26-4-8-28-9-5-26)12-2-3-13(30-12)17(22,18(23,24)25)15(20)27-6-10-29-11-7-27;12-9(17-3-6-18-7-4-17)10(13,11(14,15)16)8-2-1-5-19-8;;;/h12-15H,2-11H2,1H3;8-9H,1-7H2;3*1H
InChIKeyMIWNSRRHRQJPPW-UHFFFAOYSA-N
XLogP5.31
TPSA55.87 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.67
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-[2-[5-(1,2-difluoro-1-morpholin-4-ylpropan-2-yl)oxolan-2-yl]-1,2,3,3,3-pentafluoropropyl]morpholine;4-[1,2,3,3,3-pentafluoro-2-(oxolan-2-yl)propyl]morpholine;trihydrofluoride 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

1-[1,2,3,3,3-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propyl]piperidine
CID 130427250
2,2,3,3,5,5,6,6-octafluoro-4-[1,2,3,3,3-pentafluoro-2-(oxolan-2-yl)propyl]morpholine
CID 130408091
4-[2,2,2-trifluoro-1-(oxolan-2-yl)ethyl]morpholine
CID 54594391
4-[1,2,3,3,3-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propyl]-2,6-bis(trifluoromethyl)morpholine
CID 130427251
1-[1,2,2-trifluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]ethyl]pyrrolidine;hydrofluoride
CID 161145766
4-(1,2,3,3,3-pentafluoro-2-methylpropyl)-2,6-bis(trifluoromethyl)morpholine
CID 130218799
1,1-difluoro-N,N-dimethyl-1-(oxolan-2-yl)methanamine
CID 57486602
4-(2,2,4,4-tetramethylpentan-3-yl)morpholine
CID 57301157
4-[(2S)-1,1,1-trifluoropropan-2-yl]morpholine
CID 90180655
1-fluoro-N,N-dimethyl-1-morpholin-4-ylmethanamine
CID 25158604
2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)oxolane
CID 19783535
(2S)-2-tert-butyloxane
CID 118633229

Frequently Asked Questions

What is the IUPAC name of 4-[2-[5-(1,2-difluoro-1-morpholin-4-ylpropan-2-yl)oxolan-2-yl]-1,2,3,3,3-pentafluoropropyl]morpholine;4-[1,2,3,3,3-pentafluoro-2-(oxolan-2-yl)propyl]morpholine;trihydrofluoride?
The IUPAC name of 4-[2-[5-(1,2-difluoro-1-morpholin-4-ylpropan-2-yl)oxolan-2-yl]-1,2,3,3,3-pentafluoropropyl]morpholine;4-[1,2,3,3,3-pentafluoro-2-(oxolan-2-yl)propyl]morpholine;trihydrofluoride (CID 159579864) is 4-[2-[5-(1,2-difluoro-1-morpholin-4-ylpropan-2-yl)oxolan-2-yl]-1,2,3,3,3-pentafluoropropyl]morpholine;4-[1,2,3,3,3-pentafluoro-2-(oxolan-2-yl)propyl]morpholine;trihydrofluoride.
What is the SMILES notation for 4-[2-[5-(1,2-difluoro-1-morpholin-4-ylpropan-2-yl)oxolan-2-yl]-1,2,3,3,3-pentafluoropropyl]morpholine;4-[1,2,3,3,3-pentafluoro-2-(oxolan-2-yl)propyl]morpholine;trihydrofluoride?
The canonical SMILES for 4-[2-[5-(1,2-difluoro-1-morpholin-4-ylpropan-2-yl)oxolan-2-yl]-1,2,3,3,3-pentafluoropropyl]morpholine;4-[1,2,3,3,3-pentafluoro-2-(oxolan-2-yl)propyl]morpholine;trihydrofluoride is CC(F)(C1CCC(C(F)(C(F)N2CCOCC2)C(F)(F)F)O1)C(F)N1CCOCC1.F.F.F.FC(N1CCOCC1)C(F)(C1CCCO1)C(F)(F)F.
What is the InChIKey of 4-[2-[5-(1,2-difluoro-1-morpholin-4-ylpropan-2-yl)oxolan-2-yl]-1,2,3,3,3-pentafluoropropyl]morpholine;4-[1,2,3,3,3-pentafluoro-2-(oxolan-2-yl)propyl]morpholine;trihydrofluoride?
The InChIKey is MIWNSRRHRQJPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27F7N2O3.C11H16F5NO2.3FH/c1-16(21,14(19)26-4-8-28-9-5-26)12-2-3-13(30-12)17(22,18(23,24)25)15(20)27-6-10-29-11-7-27;12-9(17-3-6-18-7-4-17)10(13,11(14,15)16)8-2-1-5-19-8;;;/h12-15H,2-11H2,1H3;8-9H,1-7H2;3*1H.
What are the key properties of 4-[2-[5-(1,2-difluoro-1-morpholin-4-ylpropan-2-yl)oxolan-2-yl]-1,2,3,3,3-pentafluoropropyl]morpholine;4-[1,2,3,3,3-pentafluoro-2-(oxolan-2-yl)propyl]morpholine;trihydrofluoride?
4-[2-[5-(1,2-difluoro-1-morpholin-4-ylpropan-2-yl)oxolan-2-yl]-1,2,3,3,3-pentafluoropropyl]morpholine;4-[1,2,3,3,3-pentafluoro-2-(oxolan-2-yl)propyl]morpholine;trihydrofluoride has a molecular weight of 801.67 g/mol, XLogP of 5.31, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[5-(1,2-difluoro-1-morpholin-4-ylpropan-2-yl)oxolan-2-yl]-1,2,3,3,3-pentafluoropropyl]morpholine;4-[1,2,3,3,3-pentafluoro-2-(oxolan-2-yl)propyl]morpholine;trihydrofluoride is sourced from PubChem (CID 159579864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).