2,3-difluoro-3-(1,1,2,2,3,3,4,4,5,5,6-undecafluorohexyl)oxiran-2-ol

C8H3F13O2 — CID 171060417

IUPAC2,3-difluoro-3-(1,1,2,2,3,3,4,4,5,5,6-undecafluorohexyl)oxiran-2-ol
SMILESOC1(F)OC1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CF
InChIInChI=1S/C8H3F13O2/c9-1-2(10,11)3(12,13)4(14,15)5(16,17)6(18,19)7(20)8(21,22)23-7/h22H,1H2
InChIKeyXRNIUPJDTYEYCH-UHFFFAOYSA-N
MW378.08 g/mol
LogP3.44
Rot. Bonds6

About 2,3-difluoro-3-(1,1,2,2,3,3,4,4,5,5,6-undecafluorohexyl)oxiran-2-ol

2,3-difluoro-3-(1,1,2,2,3,3,4,4,5,5,6-undecafluorohexyl)oxiran-2-ol (PubChem CID 171060417) has the molecular formula C8H3F13O2 and a molecular weight of 378.08 g/mol. Its IUPAC name is 2,3-difluoro-3-(1,1,2,2,3,3,4,4,5,5,6-undecafluorohexyl)oxiran-2-ol.

Molecular Properties

Compound Name2,3-difluoro-3-(1,1,2,2,3,3,4,4,5,5,6-undecafluorohexyl)oxiran-2-ol
PubChem CID171060417
Molecular FormulaC8H3F13O2
Molecular Weight378.08 g/mol
Exact Mass377.99
IUPAC Name2,3-difluoro-3-(1,1,2,2,3,3,4,4,5,5,6-undecafluorohexyl)oxiran-2-ol
SMILESOC1(F)OC1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CF
InChIInChI=1S/C8H3F13O2/c9-1-2(10,11)3(12,13)4(14,15)5(16,17)6(18,19)7(20)8(21,22)23-7/h22H,1H2
InChIKeyXRNIUPJDTYEYCH-UHFFFAOYSA-N
XLogP3.44
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.08
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,3-difluoro-3-(1,1,2,2,3,3,4,4,5,5,6-undecafluorohexyl)oxiran-2-ol with MolForge

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Related Compounds

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CID 173106088
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1,2,2,3,3,4,4,5,5,6,6,7-dodecafluoroheptan-1-ol
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2,3-difluoro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(1,1,2,2,2-pentafluoroethyl)oxirane
CID 88593540
(5S)-2,2,3,3,4,4,5-heptafluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane
CID 95054915
2-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)-2,3,3-trifluorooxirane
CID 86219176
(E)-1,1,1,2,3,4,4,5,5,6,6,7-dodecafluorohept-2-ene
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1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-7-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl(1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluoroheptyl)phosphoryl]heptane
CID 146588204
potassium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-heptadecafluorononane-1-sulfonate
CID 122482009
1,1,3,3,4,4,5,5,6,6,7,7,8-tridecafluoro-2-methyloctane
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ethane;1,1,1,2,2,3-hexafluoropropane
CID 143490804
2-ethyl-4,4,5,6,6-pentafluoro-5-(1,1,2,2,3-pentafluoropropyl)-2-(trifluoromethyl)-1,3-dioxane
CID 59628153

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-3-(1,1,2,2,3,3,4,4,5,5,6-undecafluorohexyl)oxiran-2-ol?
The IUPAC name of 2,3-difluoro-3-(1,1,2,2,3,3,4,4,5,5,6-undecafluorohexyl)oxiran-2-ol (CID 171060417) is 2,3-difluoro-3-(1,1,2,2,3,3,4,4,5,5,6-undecafluorohexyl)oxiran-2-ol.
What is the SMILES notation for 2,3-difluoro-3-(1,1,2,2,3,3,4,4,5,5,6-undecafluorohexyl)oxiran-2-ol?
The canonical SMILES for 2,3-difluoro-3-(1,1,2,2,3,3,4,4,5,5,6-undecafluorohexyl)oxiran-2-ol is OC1(F)OC1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CF.
What is the InChIKey of 2,3-difluoro-3-(1,1,2,2,3,3,4,4,5,5,6-undecafluorohexyl)oxiran-2-ol?
The InChIKey is XRNIUPJDTYEYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F13O2/c9-1-2(10,11)3(12,13)4(14,15)5(16,17)6(18,19)7(20)8(21,22)23-7/h22H,1H2.
What are the key properties of 2,3-difluoro-3-(1,1,2,2,3,3,4,4,5,5,6-undecafluorohexyl)oxiran-2-ol?
2,3-difluoro-3-(1,1,2,2,3,3,4,4,5,5,6-undecafluorohexyl)oxiran-2-ol has a molecular weight of 378.08 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-3-(1,1,2,2,3,3,4,4,5,5,6-undecafluorohexyl)oxiran-2-ol is sourced from PubChem (CID 171060417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).