1-[2-[[2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]-methylamino]ethyl-methylamino]-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol

C16H28F8N2O4 — CID 118376151

IUPAC1-[2-[[2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]-methylamino]ethyl-methylamino]-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
SMILESCN(CCN(C)CC(O)COCC(F)(F)C(F)F)CC(O)COCC(F)(F)C(F)F
InChIInChI=1S/C16H28F8N2O4/c1-25(5-11(27)7-29-9-15(21,22)13(17)18)3-4-26(2)6-12(28)8-30-10-16(23,24)14(19)20/h11-14,27-28H,3-10H2,1-2H3
InChIKeyPFXUBXQJVYOSOX-UHFFFAOYSA-N
MW464.39 g/mol
LogP1.41
Rot. Bonds17

About 1-[2-[[2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]-methylamino]ethyl-methylamino]-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol

1-[2-[[2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]-methylamino]ethyl-methylamino]-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol (PubChem CID 118376151) has the molecular formula C16H28F8N2O4 and a molecular weight of 464.39 g/mol. Its IUPAC name is 1-[2-[[2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]-methylamino]ethyl-methylamino]-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol.

Molecular Properties

Compound Name1-[2-[[2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]-methylamino]ethyl-methylamino]-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
PubChem CID118376151
Molecular FormulaC16H28F8N2O4
Molecular Weight464.39 g/mol
Exact Mass464.19
IUPAC Name1-[2-[[2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]-methylamino]ethyl-methylamino]-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
SMILESCN(CCN(C)CC(O)COCC(F)(F)C(F)F)CC(O)COCC(F)(F)C(F)F
InChIInChI=1S/C16H28F8N2O4/c1-25(5-11(27)7-29-9-15(21,22)13(17)18)3-4-26(2)6-12(28)8-30-10-16(23,24)14(19)20/h11-14,27-28H,3-10H2,1-2H3
InChIKeyPFXUBXQJVYOSOX-UHFFFAOYSA-N
XLogP1.41
TPSA65.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.39
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis[2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]-N,N,N',N'-tetramethylethane-1,2-diaminium dichloride
CID 138396273
1-(1,1,1,3,3,3-Hexafluoropropan-2-yloxy)-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 4829656
1-(Morpholin-4-yl)-6,8,8,9,11,11,12,12,13,13,13-undecafluoro-6,9-bis(trifluoromethyl)-4,7,10-trioxa-tridecanol-2
CID 129761960
N,N-dimethyl-N-methyl-N-[2-hydroxy-6,6,7,7-tetrafluoro-4-oxaheptyl]ammonium iodide
CID 129761987
1-[Di(propan-2-yl)amino]-3-(1,1,2,2-tetrafluoroethoxy)propan-2-ol
CID 22975424
[2-Hydroxy-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propyl]-[2-[[2-hydroxy-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propyl]-[2-[[2-hydroxy-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propyl]-dimethylazaniumyl]ethyl]amino]ethyl]-dimethylazanium
CID 58194896
Triethyl-[2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]azanium
CID 58194898
1-[4-[3-(2,2,3,3,4,4-Hexafluoropentoxy)-2-hydroxypropyl]-1,4-dimethylpiperazine-1,4-diium-1-yl]-3-(2,2,3-trifluoropropoxy)propan-2-ol
CID 58194899
1-[4-[2-Hydroxy-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propyl]-1,4-dimethylpiperazine-1,4-diium-1-yl]-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propan-2-ol
CID 58194900
[3-(2,2,3,3,4,4-Hexafluoropentoxy)-2-hydroxypropyl]-[2-[[2-hydroxy-3-(2,2,3-trifluoropropoxy)propyl]-dimethylazaniumyl]ethyl]-dimethylazanium
CID 58194901
[2-Hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]-[2-[[2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]-dimethylazaniumyl]ethyl]-dimethylazanium
CID 58194902
2-[1,4-Bis[2-hydroxy-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propyl]-4-methylpiperazine-1,4-diium-1-yl]ethyl-[2-hydroxy-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propyl]-dimethylazanium
CID 58194903

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]-methylamino]ethyl-methylamino]-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol?
The IUPAC name of 1-[2-[[2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]-methylamino]ethyl-methylamino]-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol (CID 118376151) is 1-[2-[[2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]-methylamino]ethyl-methylamino]-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol.
What is the SMILES notation for 1-[2-[[2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]-methylamino]ethyl-methylamino]-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol?
The canonical SMILES for 1-[2-[[2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]-methylamino]ethyl-methylamino]-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol is CN(CCN(C)CC(O)COCC(F)(F)C(F)F)CC(O)COCC(F)(F)C(F)F.
What is the InChIKey of 1-[2-[[2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]-methylamino]ethyl-methylamino]-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol?
The InChIKey is PFXUBXQJVYOSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28F8N2O4/c1-25(5-11(27)7-29-9-15(21,22)13(17)18)3-4-26(2)6-12(28)8-30-10-16(23,24)14(19)20/h11-14,27-28H,3-10H2,1-2H3.
What are the key properties of 1-[2-[[2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]-methylamino]ethyl-methylamino]-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol?
1-[2-[[2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]-methylamino]ethyl-methylamino]-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol has a molecular weight of 464.39 g/mol, XLogP of 1.41, 17 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]-methylamino]ethyl-methylamino]-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol is sourced from PubChem (CID 118376151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).