2-[[1-(4-fluoro-4-methylpentoxy)-3-(oxiran-2-ylmethoxy)propan-2-yl]oxymethyl]oxirane

C15H27FO5 — CID 22946642

IUPAC2-[[1-(4-fluoro-4-methylpentoxy)-3-(oxiran-2-ylmethoxy)propan-2-yl]oxymethyl]oxirane
SMILESCC(C)(F)CCCOCC(COCC1CO1)OCC1CO1
InChIInChI=1S/C15H27FO5/c1-15(2,16)4-3-5-17-6-12(19-10-14-11-21-14)7-18-8-13-9-20-13/h12-14H,3-11H2,1-2H3
InChIKeyDODHUXCKECNDBT-UHFFFAOYSA-N
MW306.37 g/mol
LogP1.73
Rot. Bonds13

About 2-[[1-(4-fluoro-4-methylpentoxy)-3-(oxiran-2-ylmethoxy)propan-2-yl]oxymethyl]oxirane

2-[[1-(4-fluoro-4-methylpentoxy)-3-(oxiran-2-ylmethoxy)propan-2-yl]oxymethyl]oxirane (PubChem CID 22946642) has the molecular formula C15H27FO5 and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-[[1-(4-fluoro-4-methylpentoxy)-3-(oxiran-2-ylmethoxy)propan-2-yl]oxymethyl]oxirane.

Molecular Properties

Compound Name2-[[1-(4-fluoro-4-methylpentoxy)-3-(oxiran-2-ylmethoxy)propan-2-yl]oxymethyl]oxirane
PubChem CID22946642
Molecular FormulaC15H27FO5
Molecular Weight306.37 g/mol
Exact Mass306.18
IUPAC Name2-[[1-(4-fluoro-4-methylpentoxy)-3-(oxiran-2-ylmethoxy)propan-2-yl]oxymethyl]oxirane
SMILESCC(C)(F)CCCOCC(COCC1CO1)OCC1CO1
InChIInChI=1S/C15H27FO5/c1-15(2,16)4-3-5-17-6-12(19-10-14-11-21-14)7-18-8-13-9-20-13/h12-14H,3-11H2,1-2H3
InChIKeyDODHUXCKECNDBT-UHFFFAOYSA-N
XLogP1.73
TPSA52.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-fluoro-4-methylpentoxy)-3-(oxiran-2-ylmethoxy)propan-2-yl]oxymethyl]oxirane?
The IUPAC name of 2-[[1-(4-fluoro-4-methylpentoxy)-3-(oxiran-2-ylmethoxy)propan-2-yl]oxymethyl]oxirane (CID 22946642) is 2-[[1-(4-fluoro-4-methylpentoxy)-3-(oxiran-2-ylmethoxy)propan-2-yl]oxymethyl]oxirane.
What is the SMILES notation for 2-[[1-(4-fluoro-4-methylpentoxy)-3-(oxiran-2-ylmethoxy)propan-2-yl]oxymethyl]oxirane?
The canonical SMILES for 2-[[1-(4-fluoro-4-methylpentoxy)-3-(oxiran-2-ylmethoxy)propan-2-yl]oxymethyl]oxirane is CC(C)(F)CCCOCC(COCC1CO1)OCC1CO1.
What is the InChIKey of 2-[[1-(4-fluoro-4-methylpentoxy)-3-(oxiran-2-ylmethoxy)propan-2-yl]oxymethyl]oxirane?
The InChIKey is DODHUXCKECNDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27FO5/c1-15(2,16)4-3-5-17-6-12(19-10-14-11-21-14)7-18-8-13-9-20-13/h12-14H,3-11H2,1-2H3.
What are the key properties of 2-[[1-(4-fluoro-4-methylpentoxy)-3-(oxiran-2-ylmethoxy)propan-2-yl]oxymethyl]oxirane?
2-[[1-(4-fluoro-4-methylpentoxy)-3-(oxiran-2-ylmethoxy)propan-2-yl]oxymethyl]oxirane has a molecular weight of 306.37 g/mol, XLogP of 1.73, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-fluoro-4-methylpentoxy)-3-(oxiran-2-ylmethoxy)propan-2-yl]oxymethyl]oxirane is sourced from PubChem (CID 22946642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).