1-(oxiran-2-ylmethoxy)-3-(1,1,2,2-tetrafluoroethoxy)propan-2-ol

C8H12F4O4 — CID 139989474

IUPAC1-(oxiran-2-ylmethoxy)-3-(1,1,2,2-tetrafluoroethoxy)propan-2-ol
SMILESOC(COCC1CO1)COC(F)(F)C(F)F
InChIInChI=1S/C8H12F4O4/c9-7(10)8(11,12)16-2-5(13)1-14-3-6-4-15-6/h5-7,13H,1-4H2
InChIKeyUQNQBKFDCCCFSU-UHFFFAOYSA-N
MW248.17 g/mol
LogP0.64
Rot. Bonds8

About 1-(oxiran-2-ylmethoxy)-3-(1,1,2,2-tetrafluoroethoxy)propan-2-ol

1-(oxiran-2-ylmethoxy)-3-(1,1,2,2-tetrafluoroethoxy)propan-2-ol (PubChem CID 139989474) has the molecular formula C8H12F4O4 and a molecular weight of 248.17 g/mol. Its IUPAC name is 1-(oxiran-2-ylmethoxy)-3-(1,1,2,2-tetrafluoroethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(oxiran-2-ylmethoxy)-3-(1,1,2,2-tetrafluoroethoxy)propan-2-ol
PubChem CID139989474
Molecular FormulaC8H12F4O4
Molecular Weight248.17 g/mol
Exact Mass248.07
IUPAC Name1-(oxiran-2-ylmethoxy)-3-(1,1,2,2-tetrafluoroethoxy)propan-2-ol
SMILESOC(COCC1CO1)COC(F)(F)C(F)F
InChIInChI=1S/C8H12F4O4/c9-7(10)8(11,12)16-2-5(13)1-14-3-6-4-15-6/h5-7,13H,1-4H2
InChIKeyUQNQBKFDCCCFSU-UHFFFAOYSA-N
XLogP0.64
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.17
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

4,4,5,5,6,6,7,7-octafluoro-1-(oxiran-2-ylmethoxy)heptan-2-ol
CID 139989487
1-(cyclopropylmethoxy)-3-(oxiran-2-ylmethoxy)propan-2-ol
CID 58856737
6,6,7,7,8,8,9,9-octafluoro-1-(oxiran-2-ylmethoxy)nonan-2-ol
CID 139989468
4-(1,1,2,2-tetrafluoroethoxymethyl)-1,3-dioxolane
CID 88661077
cyclohexane;1-[2,2-dimethyl-3-(oxiran-2-ylmethoxy)propoxy]-3-ethoxypropan-2-ol;2-(ethoxymethyl)oxirane
CID 158042815
1-(oxiran-2-ylmethoxy)-3-phenylmethoxypropan-2-ol
CID 162405278
1-methoxy-3-[4-(oxiran-2-ylmethoxy)butoxy]propan-2-ol;2-[4-(oxiran-2-ylmethoxy)butoxymethyl]oxirane
CID 162098827
2-(oxiran-2-ylmethoxymethyl)oxirane;bis(propane-1,2,3-triol)
CID 23284067
2-[[1-(2,2,3,3,4,4,5,5-octafluoropentoxy)-3-(oxiran-2-ylmethoxy)propan-2-yl]oxymethyl]oxirane
CID 139989576
[2-hydroxy-3-(oxiran-2-ylmethoxy)propyl] 2-methylprop-2-enoate
CID 140652815
2-(1,1,2-trifluoropropoxymethyl)oxirane
CID 87368360
(2R)-2-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxymethyl)oxirane
CID 97291003

Frequently Asked Questions

What is the IUPAC name of 1-(oxiran-2-ylmethoxy)-3-(1,1,2,2-tetrafluoroethoxy)propan-2-ol?
The IUPAC name of 1-(oxiran-2-ylmethoxy)-3-(1,1,2,2-tetrafluoroethoxy)propan-2-ol (CID 139989474) is 1-(oxiran-2-ylmethoxy)-3-(1,1,2,2-tetrafluoroethoxy)propan-2-ol.
What is the SMILES notation for 1-(oxiran-2-ylmethoxy)-3-(1,1,2,2-tetrafluoroethoxy)propan-2-ol?
The canonical SMILES for 1-(oxiran-2-ylmethoxy)-3-(1,1,2,2-tetrafluoroethoxy)propan-2-ol is OC(COCC1CO1)COC(F)(F)C(F)F.
What is the InChIKey of 1-(oxiran-2-ylmethoxy)-3-(1,1,2,2-tetrafluoroethoxy)propan-2-ol?
The InChIKey is UQNQBKFDCCCFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F4O4/c9-7(10)8(11,12)16-2-5(13)1-14-3-6-4-15-6/h5-7,13H,1-4H2.
What are the key properties of 1-(oxiran-2-ylmethoxy)-3-(1,1,2,2-tetrafluoroethoxy)propan-2-ol?
1-(oxiran-2-ylmethoxy)-3-(1,1,2,2-tetrafluoroethoxy)propan-2-ol has a molecular weight of 248.17 g/mol, XLogP of 0.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxiran-2-ylmethoxy)-3-(1,1,2,2-tetrafluoroethoxy)propan-2-ol is sourced from PubChem (CID 139989474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).