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

C10H17F3O3 — CID 176949994

IUPAC4-[bis(2-fluoroethoxy)methoxy]-3-fluoro-2-methylbut-1-ene
SMILESC=C(C)C(F)COC(OCCF)OCCF
InChIInChI=1S/C10H17F3O3/c1-8(2)9(13)7-16-10(14-5-3-11)15-6-4-12/h9-10H,1,3-7H2,2H3
InChIKeyPPTWRBZJRAYDJS-UHFFFAOYSA-N
MW242.24 g/mol
LogP2.17
Rot. Bonds10

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

4-[bis(2-fluoroethoxy)methoxy]-3-fluoro-2-methylbut-1-ene (PubChem CID 176949994) has the molecular formula C10H17F3O3 and a molecular weight of 242.24 g/mol. Its IUPAC name is 4-[bis(2-fluoroethoxy)methoxy]-3-fluoro-2-methylbut-1-ene.

Molecular Properties

Compound Name4-[bis(2-fluoroethoxy)methoxy]-3-fluoro-2-methylbut-1-ene
PubChem CID176949994
Molecular FormulaC10H17F3O3
Molecular Weight242.24 g/mol
Exact Mass242.11
IUPAC Name4-[bis(2-fluoroethoxy)methoxy]-3-fluoro-2-methylbut-1-ene
SMILESC=C(C)C(F)COC(OCCF)OCCF
InChIInChI=1S/C10H17F3O3/c1-8(2)9(13)7-16-10(14-5-3-11)15-6-4-12/h9-10H,1,3-7H2,2H3
InChIKeyPPTWRBZJRAYDJS-UHFFFAOYSA-N
XLogP2.17
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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)methoxy]-3-fluoro-2-methylbut-1-ene?
The IUPAC name of 4-[bis(2-fluoroethoxy)methoxy]-3-fluoro-2-methylbut-1-ene (CID 176949994) is 4-[bis(2-fluoroethoxy)methoxy]-3-fluoro-2-methylbut-1-ene.
What is the SMILES notation for 4-[bis(2-fluoroethoxy)methoxy]-3-fluoro-2-methylbut-1-ene?
The canonical SMILES for 4-[bis(2-fluoroethoxy)methoxy]-3-fluoro-2-methylbut-1-ene is C=C(C)C(F)COC(OCCF)OCCF.
What is the InChIKey of 4-[bis(2-fluoroethoxy)methoxy]-3-fluoro-2-methylbut-1-ene?
The InChIKey is PPTWRBZJRAYDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3O3/c1-8(2)9(13)7-16-10(14-5-3-11)15-6-4-12/h9-10H,1,3-7H2,2H3.
What are the key properties of 4-[bis(2-fluoroethoxy)methoxy]-3-fluoro-2-methylbut-1-ene?
4-[bis(2-fluoroethoxy)methoxy]-3-fluoro-2-methylbut-1-ene has a molecular weight of 242.24 g/mol, XLogP of 2.17, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(2-fluoroethoxy)methoxy]-3-fluoro-2-methylbut-1-ene is sourced from PubChem (CID 176949994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).