2-[difluoro-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)methyl]-2,3,3,3-tetrafluoropropan-1-ol

C8H3F14NO2 — CID 135365570

IUPAC2-[difluoro-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)methyl]-2,3,3,3-tetrafluoropropan-1-ol
SMILESOCC(F)(C(F)(F)F)C(F)(F)N1C(F)(F)C(F)(F)OC(F)(F)C1(F)F
InChIInChI=1S/C8H3F14NO2/c9-2(1-24,3(10,11)12)4(13,14)23-5(15,16)7(19,20)25-8(21,22)6(23,17)18/h24H,1H2
InChIKeyFJIRHWSJUYBLLX-UHFFFAOYSA-N
MW411.09 g/mol
LogP3.55
Rot. Bonds3

About 2-[difluoro-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)methyl]-2,3,3,3-tetrafluoropropan-1-ol

2-[difluoro-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)methyl]-2,3,3,3-tetrafluoropropan-1-ol (PubChem CID 135365570) has the molecular formula C8H3F14NO2 and a molecular weight of 411.09 g/mol. Its IUPAC name is 2-[difluoro-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)methyl]-2,3,3,3-tetrafluoropropan-1-ol.

Molecular Properties

Compound Name2-[difluoro-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)methyl]-2,3,3,3-tetrafluoropropan-1-ol
PubChem CID135365570
Molecular FormulaC8H3F14NO2
Molecular Weight411.09 g/mol
Exact Mass410.99
IUPAC Name2-[difluoro-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)methyl]-2,3,3,3-tetrafluoropropan-1-ol
SMILESOCC(F)(C(F)(F)F)C(F)(F)N1C(F)(F)C(F)(F)OC(F)(F)C1(F)F
InChIInChI=1S/C8H3F14NO2/c9-2(1-24,3(10,11)12)4(13,14)23-5(15,16)7(19,20)25-8(21,22)6(23,17)18/h24H,1H2
InChIKeyFJIRHWSJUYBLLX-UHFFFAOYSA-N
XLogP3.55
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.09
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[difluoro-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)methyl]-2,3,3,3-tetrafluoropropan-1-ol?
The IUPAC name of 2-[difluoro-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)methyl]-2,3,3,3-tetrafluoropropan-1-ol (CID 135365570) is 2-[difluoro-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)methyl]-2,3,3,3-tetrafluoropropan-1-ol.
What is the SMILES notation for 2-[difluoro-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)methyl]-2,3,3,3-tetrafluoropropan-1-ol?
The canonical SMILES for 2-[difluoro-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)methyl]-2,3,3,3-tetrafluoropropan-1-ol is OCC(F)(C(F)(F)F)C(F)(F)N1C(F)(F)C(F)(F)OC(F)(F)C1(F)F.
What is the InChIKey of 2-[difluoro-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)methyl]-2,3,3,3-tetrafluoropropan-1-ol?
The InChIKey is FJIRHWSJUYBLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F14NO2/c9-2(1-24,3(10,11)12)4(13,14)23-5(15,16)7(19,20)25-8(21,22)6(23,17)18/h24H,1H2.
What are the key properties of 2-[difluoro-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)methyl]-2,3,3,3-tetrafluoropropan-1-ol?
2-[difluoro-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)methyl]-2,3,3,3-tetrafluoropropan-1-ol has a molecular weight of 411.09 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[difluoro-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)methyl]-2,3,3,3-tetrafluoropropan-1-ol is sourced from PubChem (CID 135365570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).