methane;morpholine;1-morpholin-4-yl-3-(3,3,5,5-tetrafluoropentoxy)propan-2-ol;2-(3,3,5,5-tetrafluoropentoxymethyl)oxirane

C25H46F8N2O6 — CID 161302944

IUPACmethane;morpholine;1-morpholin-4-yl-3-(3,3,5,5-tetrafluoropentoxy)propan-2-ol;2-(3,3,5,5-tetrafluoropentoxymethyl)oxirane
SMILESC.C1COCCN1.FC(F)CC(F)(F)CCOCC1CO1.OC(COCCC(F)(F)CC(F)F)CN1CCOCC1
InChIInChI=1S/C12H21F4NO3.C8H12F4O2.C4H9NO.CH4/c13-11(14)7-12(15,16)1-4-20-9-10(18)8-17-2-5-19-6-3-17;9-7(10)3-8(11,12)1-2-13-4-6-5-14-6;1-3-6-4-2-5-1;/h10-11,18H,1-9H2;6-7H,1-5H2;5H,1-4H2;1H4
InChIKeyVHWAPSKQYVNULG-UHFFFAOYSA-N
MW622.64 g/mol
LogP3.70
Rot. Bonds16

About methane;morpholine;1-morpholin-4-yl-3-(3,3,5,5-tetrafluoropentoxy)propan-2-ol;2-(3,3,5,5-tetrafluoropentoxymethyl)oxirane

methane;morpholine;1-morpholin-4-yl-3-(3,3,5,5-tetrafluoropentoxy)propan-2-ol;2-(3,3,5,5-tetrafluoropentoxymethyl)oxirane (PubChem CID 161302944) has the molecular formula C25H46F8N2O6 and a molecular weight of 622.64 g/mol. Its IUPAC name is methane;morpholine;1-morpholin-4-yl-3-(3,3,5,5-tetrafluoropentoxy)propan-2-ol;2-(3,3,5,5-tetrafluoropentoxymethyl)oxirane.

Molecular Properties

Compound Namemethane;morpholine;1-morpholin-4-yl-3-(3,3,5,5-tetrafluoropentoxy)propan-2-ol;2-(3,3,5,5-tetrafluoropentoxymethyl)oxirane
PubChem CID161302944
Molecular FormulaC25H46F8N2O6
Molecular Weight622.64 g/mol
Exact Mass622.32
IUPAC Namemethane;morpholine;1-morpholin-4-yl-3-(3,3,5,5-tetrafluoropentoxy)propan-2-ol;2-(3,3,5,5-tetrafluoropentoxymethyl)oxirane
SMILESC.C1COCCN1.FC(F)CC(F)(F)CCOCC1CO1.OC(COCCC(F)(F)CC(F)F)CN1CCOCC1
InChIInChI=1S/C12H21F4NO3.C8H12F4O2.C4H9NO.CH4/c13-11(14)7-12(15,16)1-4-20-9-10(18)8-17-2-5-19-6-3-17;9-7(10)3-8(11,12)1-2-13-4-6-5-14-6;1-3-6-4-2-5-1;/h10-11,18H,1-9H2;6-7H,1-5H2;5H,1-4H2;1H4
InChIKeyVHWAPSKQYVNULG-UHFFFAOYSA-N
XLogP3.70
TPSA84.95 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500622.64
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze methane;morpholine;1-morpholin-4-yl-3-(3,3,5,5-tetrafluoropentoxy)propan-2-ol;2-(3,3,5,5-tetrafluoropentoxymethyl)oxirane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methane;morpholine;1-morpholin-4-yl-3-(3,3,5,5-tetrafluoropentoxy)propan-2-ol;2-(3,3,5,5-tetrafluoropentoxymethyl)oxirane?
The IUPAC name of methane;morpholine;1-morpholin-4-yl-3-(3,3,5,5-tetrafluoropentoxy)propan-2-ol;2-(3,3,5,5-tetrafluoropentoxymethyl)oxirane (CID 161302944) is methane;morpholine;1-morpholin-4-yl-3-(3,3,5,5-tetrafluoropentoxy)propan-2-ol;2-(3,3,5,5-tetrafluoropentoxymethyl)oxirane.
What is the SMILES notation for methane;morpholine;1-morpholin-4-yl-3-(3,3,5,5-tetrafluoropentoxy)propan-2-ol;2-(3,3,5,5-tetrafluoropentoxymethyl)oxirane?
The canonical SMILES for methane;morpholine;1-morpholin-4-yl-3-(3,3,5,5-tetrafluoropentoxy)propan-2-ol;2-(3,3,5,5-tetrafluoropentoxymethyl)oxirane is C.C1COCCN1.FC(F)CC(F)(F)CCOCC1CO1.OC(COCCC(F)(F)CC(F)F)CN1CCOCC1.
What is the InChIKey of methane;morpholine;1-morpholin-4-yl-3-(3,3,5,5-tetrafluoropentoxy)propan-2-ol;2-(3,3,5,5-tetrafluoropentoxymethyl)oxirane?
The InChIKey is VHWAPSKQYVNULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F4NO3.C8H12F4O2.C4H9NO.CH4/c13-11(14)7-12(15,16)1-4-20-9-10(18)8-17-2-5-19-6-3-17;9-7(10)3-8(11,12)1-2-13-4-6-5-14-6;1-3-6-4-2-5-1;/h10-11,18H,1-9H2;6-7H,1-5H2;5H,1-4H2;1H4.
What are the key properties of methane;morpholine;1-morpholin-4-yl-3-(3,3,5,5-tetrafluoropentoxy)propan-2-ol;2-(3,3,5,5-tetrafluoropentoxymethyl)oxirane?
methane;morpholine;1-morpholin-4-yl-3-(3,3,5,5-tetrafluoropentoxy)propan-2-ol;2-(3,3,5,5-tetrafluoropentoxymethyl)oxirane has a molecular weight of 622.64 g/mol, XLogP of 3.70, 16 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methane;morpholine;1-morpholin-4-yl-3-(3,3,5,5-tetrafluoropentoxy)propan-2-ol;2-(3,3,5,5-tetrafluoropentoxymethyl)oxirane is sourced from PubChem (CID 161302944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).