4-[bis(2-fluoroethoxy)-(3-methylbut-3-enoxy)methoxy]-3-fluoro-2-methylbut-1-ene

C15H25F3O4 — CID 176949950

IUPAC4-[bis(2-fluoroethoxy)-(3-methylbut-3-enoxy)methoxy]-3-fluoro-2-methylbut-1-ene
SMILESC=C(C)CCOC(OCCF)(OCCF)OCC(F)C(=C)C
InChIInChI=1S/C15H25F3O4/c1-12(2)5-8-19-15(20-9-6-16,21-10-7-17)22-11-14(18)13(3)4/h14H,1,3,5-11H2,2,4H3
InChIKeyAOLMJZPTJRWTOH-UHFFFAOYSA-N
MW326.36 g/mol
LogP3.48
Rot. Bonds14

About 4-[bis(2-fluoroethoxy)-(3-methylbut-3-enoxy)methoxy]-3-fluoro-2-methylbut-1-ene

4-[bis(2-fluoroethoxy)-(3-methylbut-3-enoxy)methoxy]-3-fluoro-2-methylbut-1-ene (PubChem CID 176949950) has the molecular formula C15H25F3O4 and a molecular weight of 326.36 g/mol. Its IUPAC name is 4-[bis(2-fluoroethoxy)-(3-methylbut-3-enoxy)methoxy]-3-fluoro-2-methylbut-1-ene.

Molecular Properties

Compound Name4-[bis(2-fluoroethoxy)-(3-methylbut-3-enoxy)methoxy]-3-fluoro-2-methylbut-1-ene
PubChem CID176949950
Molecular FormulaC15H25F3O4
Molecular Weight326.36 g/mol
Exact Mass326.17
IUPAC Name4-[bis(2-fluoroethoxy)-(3-methylbut-3-enoxy)methoxy]-3-fluoro-2-methylbut-1-ene
SMILESC=C(C)CCOC(OCCF)(OCCF)OCC(F)C(=C)C
InChIInChI=1S/C15H25F3O4/c1-12(2)5-8-19-15(20-9-6-16,21-10-7-17)22-11-14(18)13(3)4/h14H,1,3,5-11H2,2,4H3
InChIKeyAOLMJZPTJRWTOH-UHFFFAOYSA-N
XLogP3.48
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[bis(2-fluoroethoxy)-(3-methylbut-3-enoxy)methoxy]-3-fluoro-2-methylbut-1-ene?
The IUPAC name of 4-[bis(2-fluoroethoxy)-(3-methylbut-3-enoxy)methoxy]-3-fluoro-2-methylbut-1-ene (CID 176949950) is 4-[bis(2-fluoroethoxy)-(3-methylbut-3-enoxy)methoxy]-3-fluoro-2-methylbut-1-ene.
What is the SMILES notation for 4-[bis(2-fluoroethoxy)-(3-methylbut-3-enoxy)methoxy]-3-fluoro-2-methylbut-1-ene?
The canonical SMILES for 4-[bis(2-fluoroethoxy)-(3-methylbut-3-enoxy)methoxy]-3-fluoro-2-methylbut-1-ene is C=C(C)CCOC(OCCF)(OCCF)OCC(F)C(=C)C.
What is the InChIKey of 4-[bis(2-fluoroethoxy)-(3-methylbut-3-enoxy)methoxy]-3-fluoro-2-methylbut-1-ene?
The InChIKey is AOLMJZPTJRWTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3O4/c1-12(2)5-8-19-15(20-9-6-16,21-10-7-17)22-11-14(18)13(3)4/h14H,1,3,5-11H2,2,4H3.
What are the key properties of 4-[bis(2-fluoroethoxy)-(3-methylbut-3-enoxy)methoxy]-3-fluoro-2-methylbut-1-ene?
4-[bis(2-fluoroethoxy)-(3-methylbut-3-enoxy)methoxy]-3-fluoro-2-methylbut-1-ene has a molecular weight of 326.36 g/mol, XLogP of 3.48, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(2-fluoroethoxy)-(3-methylbut-3-enoxy)methoxy]-3-fluoro-2-methylbut-1-ene is sourced from PubChem (CID 176949950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).