(2S)-2-(4,4,5,5,5-pentafluoropentoxymethyl)oxirane

C8H11F5O2 — CID 98041590

IUPAC(2S)-2-(4,4,5,5,5-pentafluoropentoxymethyl)oxirane
SMILESFC(F)(F)C(F)(F)CCCOC[C@@H]1CO1
InChIInChI=1S/C8H11F5O2/c9-7(10,8(11,12)13)2-1-3-14-4-6-5-15-6/h6H,1-5H2/t6-/m1/s1
InChIKeyGFPZCNPMTKHOJZ-ZCFIWIBFSA-N
MW234.16 g/mol
LogP2.38
Rot. Bonds6

About (2S)-2-(4,4,5,5,5-pentafluoropentoxymethyl)oxirane

(2S)-2-(4,4,5,5,5-pentafluoropentoxymethyl)oxirane (PubChem CID 98041590) has the molecular formula C8H11F5O2 and a molecular weight of 234.16 g/mol. Its IUPAC name is (2S)-2-(4,4,5,5,5-pentafluoropentoxymethyl)oxirane.

Molecular Properties

Compound Name(2S)-2-(4,4,5,5,5-pentafluoropentoxymethyl)oxirane
PubChem CID98041590
Molecular FormulaC8H11F5O2
Molecular Weight234.16 g/mol
Exact Mass234.07
IUPAC Name(2S)-2-(4,4,5,5,5-pentafluoropentoxymethyl)oxirane
SMILESFC(F)(F)C(F)(F)CCCOC[C@@H]1CO1
InChIInChI=1S/C8H11F5O2/c9-7(10,8(11,12)13)2-1-3-14-4-6-5-15-6/h6H,1-5H2/t6-/m1/s1
InChIKeyGFPZCNPMTKHOJZ-ZCFIWIBFSA-N
XLogP2.38
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.16
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-pentacosafluorooctadecoxymethyl)oxirane
CID 14877773
1,1,2,2-tetrafluoro-5-(oxiran-2-ylmethoxy)pentane-1-sulfonic acid
CID 164777532
2-[18-(oxiran-2-ylmethoxy)octadecoxymethyl]oxirane
CID 172718038
2-[4-[4-[4-[4-[4-[4-[4-[4-[4-(oxiran-2-ylmethoxy)butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxymethyl]oxirane
CID 130476685
2-[4-[4-[4-(oxiran-2-ylmethoxy)butoxy]butoxy]butoxymethyl]oxirane
CID 130476668
2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluorononoxymethyl)oxirane
CID 141482094
2-[[9-(oxiran-2-ylmethoxy)-5,5-bis[4-(oxiran-2-ylmethoxy)butyl]nonoxy]methyl]oxirane
CID 150577624
2-(4-methoxybutoxymethyl)oxirane
CID 58151519
(2R)-2-(3-methoxypropoxymethyl)oxirane
CID 130493223
2-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxymethyl]oxirane
CID 91036446
2-[3-[2-(3-methoxypropoxy)ethoxy]propoxymethyl]oxirane
CID 101393644
trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]-λ4-sulfane
CID 144672879

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4,4,5,5,5-pentafluoropentoxymethyl)oxirane?
The IUPAC name of (2S)-2-(4,4,5,5,5-pentafluoropentoxymethyl)oxirane (CID 98041590) is (2S)-2-(4,4,5,5,5-pentafluoropentoxymethyl)oxirane.
What is the SMILES notation for (2S)-2-(4,4,5,5,5-pentafluoropentoxymethyl)oxirane?
The canonical SMILES for (2S)-2-(4,4,5,5,5-pentafluoropentoxymethyl)oxirane is FC(F)(F)C(F)(F)CCCOC[C@@H]1CO1.
What is the InChIKey of (2S)-2-(4,4,5,5,5-pentafluoropentoxymethyl)oxirane?
The InChIKey is GFPZCNPMTKHOJZ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H11F5O2/c9-7(10,8(11,12)13)2-1-3-14-4-6-5-15-6/h6H,1-5H2/t6-/m1/s1.
What are the key properties of (2S)-2-(4,4,5,5,5-pentafluoropentoxymethyl)oxirane?
(2S)-2-(4,4,5,5,5-pentafluoropentoxymethyl)oxirane has a molecular weight of 234.16 g/mol, XLogP of 2.38, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4,4,5,5,5-pentafluoropentoxymethyl)oxirane is sourced from PubChem (CID 98041590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).