2-[[2-ethyl-4-fluoro-2-(oxiran-2-ylmethoxymethyl)pentoxy]methyl]oxirane

C14H25FO4 — CID 167083320

IUPAC2-[[2-ethyl-4-fluoro-2-(oxiran-2-ylmethoxymethyl)pentoxy]methyl]oxirane
SMILESCCC(COCC1CO1)(COCC1CO1)CC(C)F
InChIInChI=1S/C14H25FO4/c1-3-14(4-11(2)15,9-16-5-12-7-18-12)10-17-6-13-8-19-13/h11-13H,3-10H2,1-2H3
InChIKeyJBWOJQULVWTDFR-UHFFFAOYSA-N
MW276.35 g/mol
LogP1.96
Rot. Bonds11

About 2-[[2-ethyl-4-fluoro-2-(oxiran-2-ylmethoxymethyl)pentoxy]methyl]oxirane

2-[[2-ethyl-4-fluoro-2-(oxiran-2-ylmethoxymethyl)pentoxy]methyl]oxirane (PubChem CID 167083320) has the molecular formula C14H25FO4 and a molecular weight of 276.35 g/mol. Its IUPAC name is 2-[[2-ethyl-4-fluoro-2-(oxiran-2-ylmethoxymethyl)pentoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[[2-ethyl-4-fluoro-2-(oxiran-2-ylmethoxymethyl)pentoxy]methyl]oxirane
PubChem CID167083320
Molecular FormulaC14H25FO4
Molecular Weight276.35 g/mol
Exact Mass276.17
IUPAC Name2-[[2-ethyl-4-fluoro-2-(oxiran-2-ylmethoxymethyl)pentoxy]methyl]oxirane
SMILESCCC(COCC1CO1)(COCC1CO1)CC(C)F
InChIInChI=1S/C14H25FO4/c1-3-14(4-11(2)15,9-16-5-12-7-18-12)10-17-6-13-8-19-13/h11-13H,3-10H2,1-2H3
InChIKeyJBWOJQULVWTDFR-UHFFFAOYSA-N
XLogP1.96
TPSA43.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-ethyl-4-fluoro-2-(oxiran-2-ylmethoxymethyl)pentoxy]methyl]oxirane?
The IUPAC name of 2-[[2-ethyl-4-fluoro-2-(oxiran-2-ylmethoxymethyl)pentoxy]methyl]oxirane (CID 167083320) is 2-[[2-ethyl-4-fluoro-2-(oxiran-2-ylmethoxymethyl)pentoxy]methyl]oxirane.
What is the SMILES notation for 2-[[2-ethyl-4-fluoro-2-(oxiran-2-ylmethoxymethyl)pentoxy]methyl]oxirane?
The canonical SMILES for 2-[[2-ethyl-4-fluoro-2-(oxiran-2-ylmethoxymethyl)pentoxy]methyl]oxirane is CCC(COCC1CO1)(COCC1CO1)CC(C)F.
What is the InChIKey of 2-[[2-ethyl-4-fluoro-2-(oxiran-2-ylmethoxymethyl)pentoxy]methyl]oxirane?
The InChIKey is JBWOJQULVWTDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25FO4/c1-3-14(4-11(2)15,9-16-5-12-7-18-12)10-17-6-13-8-19-13/h11-13H,3-10H2,1-2H3.
What are the key properties of 2-[[2-ethyl-4-fluoro-2-(oxiran-2-ylmethoxymethyl)pentoxy]methyl]oxirane?
2-[[2-ethyl-4-fluoro-2-(oxiran-2-ylmethoxymethyl)pentoxy]methyl]oxirane has a molecular weight of 276.35 g/mol, XLogP of 1.96, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-ethyl-4-fluoro-2-(oxiran-2-ylmethoxymethyl)pentoxy]methyl]oxirane is sourced from PubChem (CID 167083320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).