2-[[2-[2-[difluoro-[1,1,1,2-tetrafluoro-3-(oxiran-2-ylmethoxy)propan-2-yl]oxymethyl]-1,1,3,3-tetrafluoro-2-methyl-3-[1,1,1,2-tetrafluoro-3-(oxiran-2-ylmethoxy)propan-2-yl]oxypropoxy]-3,3,3-trifluoropropoxy]methyl]oxirane

C23H25F17O9 — CID 58122117

IUPAC2-[[2-[2-[difluoro-[1,1,1,2-tetrafluoro-3-(oxiran-2-ylmethoxy)propan-2-yl]oxymethyl]-1,1,3,3-tetrafluoro-2-methyl-3-[1,1,1,2-tetrafluoro-3-(oxiran-2-ylmethoxy)propan-2-yl]oxypropoxy]-3,3,3-trifluoropropoxy]methyl]oxirane
SMILESCC(C(F)(F)OC(COCC1CO1)C(F)(F)F)(C(F)(F)OC(F)(COCC1CO1)C(F)(F)F)C(F)(F)OC(F)(COCC1CO1)C(F)(F)F
InChIInChI=1S/C23H25F17O9/c1-15(21(35,36)47-14(18(26,27)28)8-41-2-11-5-44-11,22(37,38)48-16(24,19(29,30)31)9-42-3-12-6-45-12)23(39,40)49-17(25,20(32,33)34)10-43-4-13-7-46-13/h11-14H,2-10H2,1H3
InChIKeyVXSUIAZVIXGJHQ-UHFFFAOYSA-N
MW768.41 g/mol
LogP5.45
Rot. Bonds21

About 2-[[2-[2-[difluoro-[1,1,1,2-tetrafluoro-3-(oxiran-2-ylmethoxy)propan-2-yl]oxymethyl]-1,1,3,3-tetrafluoro-2-methyl-3-[1,1,1,2-tetrafluoro-3-(oxiran-2-ylmethoxy)propan-2-yl]oxypropoxy]-3,3,3-trifluoropropoxy]methyl]oxirane

2-[[2-[2-[difluoro-[1,1,1,2-tetrafluoro-3-(oxiran-2-ylmethoxy)propan-2-yl]oxymethyl]-1,1,3,3-tetrafluoro-2-methyl-3-[1,1,1,2-tetrafluoro-3-(oxiran-2-ylmethoxy)propan-2-yl]oxypropoxy]-3,3,3-trifluoropropoxy]methyl]oxirane (PubChem CID 58122117) has the molecular formula C23H25F17O9 and a molecular weight of 768.41 g/mol. Its IUPAC name is 2-[[2-[2-[difluoro-[1,1,1,2-tetrafluoro-3-(oxiran-2-ylmethoxy)propan-2-yl]oxymethyl]-1,1,3,3-tetrafluoro-2-methyl-3-[1,1,1,2-tetrafluoro-3-(oxiran-2-ylmethoxy)propan-2-yl]oxypropoxy]-3,3,3-trifluoropropoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[[2-[2-[difluoro-[1,1,1,2-tetrafluoro-3-(oxiran-2-ylmethoxy)propan-2-yl]oxymethyl]-1,1,3,3-tetrafluoro-2-methyl-3-[1,1,1,2-tetrafluoro-3-(oxiran-2-ylmethoxy)propan-2-yl]oxypropoxy]-3,3,3-trifluoropropoxy]methyl]oxirane
PubChem CID58122117
Molecular FormulaC23H25F17O9
Molecular Weight768.41 g/mol
Exact Mass768.12
IUPAC Name2-[[2-[2-[difluoro-[1,1,1,2-tetrafluoro-3-(oxiran-2-ylmethoxy)propan-2-yl]oxymethyl]-1,1,3,3-tetrafluoro-2-methyl-3-[1,1,1,2-tetrafluoro-3-(oxiran-2-ylmethoxy)propan-2-yl]oxypropoxy]-3,3,3-trifluoropropoxy]methyl]oxirane
SMILESCC(C(F)(F)OC(COCC1CO1)C(F)(F)F)(C(F)(F)OC(F)(COCC1CO1)C(F)(F)F)C(F)(F)OC(F)(COCC1CO1)C(F)(F)F
InChIInChI=1S/C23H25F17O9/c1-15(21(35,36)47-14(18(26,27)28)8-41-2-11-5-44-11,22(37,38)48-16(24,19(29,30)31)9-42-3-12-6-45-12)23(39,40)49-17(25,20(32,33)34)10-43-4-13-7-46-13/h11-14H,2-10H2,1H3
InChIKeyVXSUIAZVIXGJHQ-UHFFFAOYSA-N
XLogP5.45
TPSA92.97 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds21
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.41
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-[[2-[2-[difluoro-[1,1,1,2-tetrafluoro-3-(oxiran-2-ylmethoxy)propan-2-yl]oxymethyl]-1,1,3,3-tetrafluoro-2-methyl-3-[1,1,1,2-tetrafluoro-3-(oxiran-2-ylmethoxy)propan-2-yl]oxypropoxy]-3,3,3-trifluoropropoxy]methyl]oxirane with MolForge

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Related Compounds

2-[[2-[1,1,1,2,2,3,5,5,5-nonafluoro-4-(trifluoromethyl)pentan-3-yl]oxy-3-(oxiran-2-ylmethoxy)propoxy]methyl]oxirane
CID 139908403
1,1,1,2,2,3,3-heptafluorobutane;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 175116625
(2S)-2-[[(2S)-2-[(2R)-1-[[(2S)-oxiran-2-yl]methoxy]propan-2-yl]oxypropoxy]methyl]oxirane
CID 97031068
[2,3-difluoro-1-(oxiran-2-ylmethoxy)butan-2-yl]phosphane
CID 163554978
2-(2,2,3-trifluorobut-3-enoxymethyl)oxirane
CID 23546504
2-[[2,2,4-trimethyl-1-(oxiran-2-ylmethoxy)pentan-3-yl]oxymethyl]oxirane
CID 87149514
1-(oxiran-2-ylmethoxy)-3-(1,1,2,2-tetrafluoroethoxy)propan-2-ol
CID 139989474
2-[[5,5,5-trifluoro-1-(oxiran-2-ylmethoxy)pentan-2-yl]oxymethyl]oxirane
CID 139989516
2-methyl-3-(oxiran-2-ylmethoxy)-2-(oxiran-2-ylmethoxymethyl)propanoic acid
CID 142337917
2-methoxy-1-[2-methyl-3-(oxiran-2-ylmethoxy)-2-(oxiran-2-ylmethoxymethyl)propoxy]ethanol
CID 118461097
(2R)-2-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxymethyl)oxirane
CID 97291003
(2S)-2-[[1-[[(2S)-oxiran-2-yl]methoxy]-3-[[(2R)-oxiran-2-yl]methoxy]propan-2-yl]oxymethyl]oxirane
CID 76966856

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-[difluoro-[1,1,1,2-tetrafluoro-3-(oxiran-2-ylmethoxy)propan-2-yl]oxymethyl]-1,1,3,3-tetrafluoro-2-methyl-3-[1,1,1,2-tetrafluoro-3-(oxiran-2-ylmethoxy)propan-2-yl]oxypropoxy]-3,3,3-trifluoropropoxy]methyl]oxirane?
The IUPAC name of 2-[[2-[2-[difluoro-[1,1,1,2-tetrafluoro-3-(oxiran-2-ylmethoxy)propan-2-yl]oxymethyl]-1,1,3,3-tetrafluoro-2-methyl-3-[1,1,1,2-tetrafluoro-3-(oxiran-2-ylmethoxy)propan-2-yl]oxypropoxy]-3,3,3-trifluoropropoxy]methyl]oxirane (CID 58122117) is 2-[[2-[2-[difluoro-[1,1,1,2-tetrafluoro-3-(oxiran-2-ylmethoxy)propan-2-yl]oxymethyl]-1,1,3,3-tetrafluoro-2-methyl-3-[1,1,1,2-tetrafluoro-3-(oxiran-2-ylmethoxy)propan-2-yl]oxypropoxy]-3,3,3-trifluoropropoxy]methyl]oxirane.
What is the SMILES notation for 2-[[2-[2-[difluoro-[1,1,1,2-tetrafluoro-3-(oxiran-2-ylmethoxy)propan-2-yl]oxymethyl]-1,1,3,3-tetrafluoro-2-methyl-3-[1,1,1,2-tetrafluoro-3-(oxiran-2-ylmethoxy)propan-2-yl]oxypropoxy]-3,3,3-trifluoropropoxy]methyl]oxirane?
The canonical SMILES for 2-[[2-[2-[difluoro-[1,1,1,2-tetrafluoro-3-(oxiran-2-ylmethoxy)propan-2-yl]oxymethyl]-1,1,3,3-tetrafluoro-2-methyl-3-[1,1,1,2-tetrafluoro-3-(oxiran-2-ylmethoxy)propan-2-yl]oxypropoxy]-3,3,3-trifluoropropoxy]methyl]oxirane is CC(C(F)(F)OC(COCC1CO1)C(F)(F)F)(C(F)(F)OC(F)(COCC1CO1)C(F)(F)F)C(F)(F)OC(F)(COCC1CO1)C(F)(F)F.
What is the InChIKey of 2-[[2-[2-[difluoro-[1,1,1,2-tetrafluoro-3-(oxiran-2-ylmethoxy)propan-2-yl]oxymethyl]-1,1,3,3-tetrafluoro-2-methyl-3-[1,1,1,2-tetrafluoro-3-(oxiran-2-ylmethoxy)propan-2-yl]oxypropoxy]-3,3,3-trifluoropropoxy]methyl]oxirane?
The InChIKey is VXSUIAZVIXGJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F17O9/c1-15(21(35,36)47-14(18(26,27)28)8-41-2-11-5-44-11,22(37,38)48-16(24,19(29,30)31)9-42-3-12-6-45-12)23(39,40)49-17(25,20(32,33)34)10-43-4-13-7-46-13/h11-14H,2-10H2,1H3.
What are the key properties of 2-[[2-[2-[difluoro-[1,1,1,2-tetrafluoro-3-(oxiran-2-ylmethoxy)propan-2-yl]oxymethyl]-1,1,3,3-tetrafluoro-2-methyl-3-[1,1,1,2-tetrafluoro-3-(oxiran-2-ylmethoxy)propan-2-yl]oxypropoxy]-3,3,3-trifluoropropoxy]methyl]oxirane?
2-[[2-[2-[difluoro-[1,1,1,2-tetrafluoro-3-(oxiran-2-ylmethoxy)propan-2-yl]oxymethyl]-1,1,3,3-tetrafluoro-2-methyl-3-[1,1,1,2-tetrafluoro-3-(oxiran-2-ylmethoxy)propan-2-yl]oxypropoxy]-3,3,3-trifluoropropoxy]methyl]oxirane has a molecular weight of 768.41 g/mol, XLogP of 5.45, 21 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-[difluoro-[1,1,1,2-tetrafluoro-3-(oxiran-2-ylmethoxy)propan-2-yl]oxymethyl]-1,1,3,3-tetrafluoro-2-methyl-3-[1,1,1,2-tetrafluoro-3-(oxiran-2-ylmethoxy)propan-2-yl]oxypropoxy]-3,3,3-trifluoropropoxy]methyl]oxirane is sourced from PubChem (CID 58122117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).