2-[[1-(2,2,3,3,4,4,5,5-octafluoropentoxy)-3-(oxiran-2-ylmethoxy)propan-2-yl]oxymethyl]oxirane

C14H18F8O5 — CID 139989576

IUPAC2-[[1-(2,2,3,3,4,4,5,5-octafluoropentoxy)-3-(oxiran-2-ylmethoxy)propan-2-yl]oxymethyl]oxirane
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)COCC(COCC1CO1)OCC1CO1
InChIInChI=1S/C14H18F8O5/c15-11(16)13(19,20)14(21,22)12(17,18)7-24-3-8(25-5-10-6-27-10)1-23-2-9-4-26-9/h8-11H,1-7H2
InChIKeyJZGRHVJLVONLTA-UHFFFAOYSA-N
MW418.28 g/mol
LogP2.37
Rot. Bonds14

About 2-[[1-(2,2,3,3,4,4,5,5-octafluoropentoxy)-3-(oxiran-2-ylmethoxy)propan-2-yl]oxymethyl]oxirane

2-[[1-(2,2,3,3,4,4,5,5-octafluoropentoxy)-3-(oxiran-2-ylmethoxy)propan-2-yl]oxymethyl]oxirane (PubChem CID 139989576) has the molecular formula C14H18F8O5 and a molecular weight of 418.28 g/mol. Its IUPAC name is 2-[[1-(2,2,3,3,4,4,5,5-octafluoropentoxy)-3-(oxiran-2-ylmethoxy)propan-2-yl]oxymethyl]oxirane.

Molecular Properties

Compound Name2-[[1-(2,2,3,3,4,4,5,5-octafluoropentoxy)-3-(oxiran-2-ylmethoxy)propan-2-yl]oxymethyl]oxirane
PubChem CID139989576
Molecular FormulaC14H18F8O5
Molecular Weight418.28 g/mol
Exact Mass418.10
IUPAC Name2-[[1-(2,2,3,3,4,4,5,5-octafluoropentoxy)-3-(oxiran-2-ylmethoxy)propan-2-yl]oxymethyl]oxirane
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)COCC(COCC1CO1)OCC1CO1
InChIInChI=1S/C14H18F8O5/c15-11(16)13(19,20)14(21,22)12(17,18)7-24-3-8(25-5-10-6-27-10)1-23-2-9-4-26-9/h8-11H,1-7H2
InChIKeyJZGRHVJLVONLTA-UHFFFAOYSA-N
XLogP2.37
TPSA52.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.28
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(oxiran-2-ylmethoxy)-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13-tetracosafluorotridecoxy)propan-1-ol
CID 139989559
2-[[1-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-hexadecafluorodecoxy)-3-(oxiran-2-ylmethoxy)propan-2-yl]oxymethyl]oxirane
CID 139989518
(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
(2S)-2-[[1-(oxiran-2-ylmethoxy)-3-[[(2R)-oxiran-2-yl]methoxy]propan-2-yl]oxymethyl]oxirane
CID 155237775
4,4,5,5,6,6,7,7-octafluoro-2-(oxiran-2-ylmethoxy)heptan-1-ol
CID 139989514
4,4,5,5,6,6,7,7-octafluoro-1-(oxiran-2-ylmethoxy)heptan-2-ol
CID 139989487
2-(oxiran-2-ylmethoxy)-3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14-tetracosafluorotetradecoxy)propan-1-ol
CID 139989574
2-[[5,5,5-trifluoro-1-(oxiran-2-ylmethoxy)pentan-2-yl]oxymethyl]oxirane
CID 139989516
6,6,7,7,8,8,9,9-octafluoro-1-(oxiran-2-ylmethoxy)nonan-2-ol
CID 139989468
2-(1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-pentadecafluorooctoxymethyl)oxirane
CID 22715504
(2R)-2-[[(2S)-oxiran-2-yl]methoxy]-3-[[(2R)-oxiran-2-yl]methoxy]propan-1-ol
CID 93477933

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2,2,3,3,4,4,5,5-octafluoropentoxy)-3-(oxiran-2-ylmethoxy)propan-2-yl]oxymethyl]oxirane?
The IUPAC name of 2-[[1-(2,2,3,3,4,4,5,5-octafluoropentoxy)-3-(oxiran-2-ylmethoxy)propan-2-yl]oxymethyl]oxirane (CID 139989576) is 2-[[1-(2,2,3,3,4,4,5,5-octafluoropentoxy)-3-(oxiran-2-ylmethoxy)propan-2-yl]oxymethyl]oxirane.
What is the SMILES notation for 2-[[1-(2,2,3,3,4,4,5,5-octafluoropentoxy)-3-(oxiran-2-ylmethoxy)propan-2-yl]oxymethyl]oxirane?
The canonical SMILES for 2-[[1-(2,2,3,3,4,4,5,5-octafluoropentoxy)-3-(oxiran-2-ylmethoxy)propan-2-yl]oxymethyl]oxirane is FC(F)C(F)(F)C(F)(F)C(F)(F)COCC(COCC1CO1)OCC1CO1.
What is the InChIKey of 2-[[1-(2,2,3,3,4,4,5,5-octafluoropentoxy)-3-(oxiran-2-ylmethoxy)propan-2-yl]oxymethyl]oxirane?
The InChIKey is JZGRHVJLVONLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F8O5/c15-11(16)13(19,20)14(21,22)12(17,18)7-24-3-8(25-5-10-6-27-10)1-23-2-9-4-26-9/h8-11H,1-7H2.
What are the key properties of 2-[[1-(2,2,3,3,4,4,5,5-octafluoropentoxy)-3-(oxiran-2-ylmethoxy)propan-2-yl]oxymethyl]oxirane?
2-[[1-(2,2,3,3,4,4,5,5-octafluoropentoxy)-3-(oxiran-2-ylmethoxy)propan-2-yl]oxymethyl]oxirane has a molecular weight of 418.28 g/mol, XLogP of 2.37, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2,2,3,3,4,4,5,5-octafluoropentoxy)-3-(oxiran-2-ylmethoxy)propan-2-yl]oxymethyl]oxirane is sourced from PubChem (CID 139989576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).