6,6,7,7,8,8,9,9-octafluoro-1-(oxiran-2-ylmethoxy)nonan-2-ol

C12H16F8O3 — CID 139989468

IUPAC6,6,7,7,8,8,9,9-octafluoro-1-(oxiran-2-ylmethoxy)nonan-2-ol
SMILESOC(CCCC(F)(F)C(F)(F)C(F)(F)C(F)F)COCC1CO1
InChIInChI=1S/C12H16F8O3/c13-9(14)11(17,18)12(19,20)10(15,16)3-1-2-7(21)4-22-5-8-6-23-8/h7-9,21H,1-6H2
InChIKeyLFWOCZCFMIZCJK-UHFFFAOYSA-N
MW360.24 g/mol
LogP3.10
Rot. Bonds11

About 6,6,7,7,8,8,9,9-octafluoro-1-(oxiran-2-ylmethoxy)nonan-2-ol

6,6,7,7,8,8,9,9-octafluoro-1-(oxiran-2-ylmethoxy)nonan-2-ol (PubChem CID 139989468) has the molecular formula C12H16F8O3 and a molecular weight of 360.24 g/mol. Its IUPAC name is 6,6,7,7,8,8,9,9-octafluoro-1-(oxiran-2-ylmethoxy)nonan-2-ol.

Molecular Properties

Compound Name6,6,7,7,8,8,9,9-octafluoro-1-(oxiran-2-ylmethoxy)nonan-2-ol
PubChem CID139989468
Molecular FormulaC12H16F8O3
Molecular Weight360.24 g/mol
Exact Mass360.10
IUPAC Name6,6,7,7,8,8,9,9-octafluoro-1-(oxiran-2-ylmethoxy)nonan-2-ol
SMILESOC(CCCC(F)(F)C(F)(F)C(F)(F)C(F)F)COCC1CO1
InChIInChI=1S/C12H16F8O3/c13-9(14)11(17,18)12(19,20)10(15,16)3-1-2-7(21)4-22-5-8-6-23-8/h7-9,21H,1-6H2
InChIKeyLFWOCZCFMIZCJK-UHFFFAOYSA-N
XLogP3.10
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.24
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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
2-[[1-(2,2,3,3,4,4,5,5-octafluoropentoxy)-3-(oxiran-2-ylmethoxy)propan-2-yl]oxymethyl]oxirane
CID 139989576
1-(oxiran-2-ylmethoxy)-3-(1,1,2,2-tetrafluoroethoxy)propan-2-ol
CID 139989474
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
2-(3,3,4,4,5,5,6,6-octafluorohexyl)oxirane
CID 123662716
(2R)-2-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxymethyl)oxirane
CID 97291003
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
4,4,5,5,6,6,7,7-octafluoro-2-(oxiran-2-ylmethoxy)heptan-1-ol
CID 139989514
1-(cyclopropylmethoxy)-3-(oxiran-2-ylmethoxy)propan-2-ol
CID 58856737
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-(1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-pentadecafluorooctoxymethyl)oxirane
CID 22715504
(2S)-2-(4,4,5,5,5-pentafluoropentoxymethyl)oxirane
CID 98041590

Frequently Asked Questions

What is the IUPAC name of 6,6,7,7,8,8,9,9-octafluoro-1-(oxiran-2-ylmethoxy)nonan-2-ol?
The IUPAC name of 6,6,7,7,8,8,9,9-octafluoro-1-(oxiran-2-ylmethoxy)nonan-2-ol (CID 139989468) is 6,6,7,7,8,8,9,9-octafluoro-1-(oxiran-2-ylmethoxy)nonan-2-ol.
What is the SMILES notation for 6,6,7,7,8,8,9,9-octafluoro-1-(oxiran-2-ylmethoxy)nonan-2-ol?
The canonical SMILES for 6,6,7,7,8,8,9,9-octafluoro-1-(oxiran-2-ylmethoxy)nonan-2-ol is OC(CCCC(F)(F)C(F)(F)C(F)(F)C(F)F)COCC1CO1.
What is the InChIKey of 6,6,7,7,8,8,9,9-octafluoro-1-(oxiran-2-ylmethoxy)nonan-2-ol?
The InChIKey is LFWOCZCFMIZCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F8O3/c13-9(14)11(17,18)12(19,20)10(15,16)3-1-2-7(21)4-22-5-8-6-23-8/h7-9,21H,1-6H2.
What are the key properties of 6,6,7,7,8,8,9,9-octafluoro-1-(oxiran-2-ylmethoxy)nonan-2-ol?
6,6,7,7,8,8,9,9-octafluoro-1-(oxiran-2-ylmethoxy)nonan-2-ol has a molecular weight of 360.24 g/mol, XLogP of 3.10, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,7,7,8,8,9,9-octafluoro-1-(oxiran-2-ylmethoxy)nonan-2-ol is sourced from PubChem (CID 139989468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).