3,3,4-trifluoro-4-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2-tetrafluoropropoxy)propoxy]propoxy]-2-methylbut-1-ene

C14H9F19O3 — CID 134531086

IUPAC3,3,4-trifluoro-4-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2-tetrafluoropropoxy)propoxy]propoxy]-2-methylbut-1-ene
SMILESC=C(C)C(F)(F)C(F)OC(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)C(C)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H9F19O3/c1-4(2)7(18,19)5(15)34-13(30,31)8(20,10(22,23)24)36-14(32,33)9(21,11(25,26)27)35-12(28,29)6(3,16)17/h5H,1H2,2-3H3
InChIKeyOSRSQHSGYIIPFY-UHFFFAOYSA-N
MW586.18 g/mol
LogP7.43
Rot. Bonds11

About 3,3,4-trifluoro-4-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2-tetrafluoropropoxy)propoxy]propoxy]-2-methylbut-1-ene

3,3,4-trifluoro-4-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2-tetrafluoropropoxy)propoxy]propoxy]-2-methylbut-1-ene (PubChem CID 134531086) has the molecular formula C14H9F19O3 and a molecular weight of 586.18 g/mol. Its IUPAC name is 3,3,4-trifluoro-4-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2-tetrafluoropropoxy)propoxy]propoxy]-2-methylbut-1-ene.

Molecular Properties

Compound Name3,3,4-trifluoro-4-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2-tetrafluoropropoxy)propoxy]propoxy]-2-methylbut-1-ene
PubChem CID134531086
Molecular FormulaC14H9F19O3
Molecular Weight586.18 g/mol
Exact Mass586.02
IUPAC Name3,3,4-trifluoro-4-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2-tetrafluoropropoxy)propoxy]propoxy]-2-methylbut-1-ene
SMILESC=C(C)C(F)(F)C(F)OC(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)C(C)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H9F19O3/c1-4(2)7(18,19)5(15)34-13(30,31)8(20,10(22,23)24)36-14(32,33)9(21,11(25,26)27)35-12(28,29)6(3,16)17/h5H,1H2,2-3H3
InChIKeyOSRSQHSGYIIPFY-UHFFFAOYSA-N
XLogP7.43
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.18
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3,4-trifluoro-4-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2-tetrafluoropropoxy)propoxy]propoxy]-2-methylbut-1-ene?
The IUPAC name of 3,3,4-trifluoro-4-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2-tetrafluoropropoxy)propoxy]propoxy]-2-methylbut-1-ene (CID 134531086) is 3,3,4-trifluoro-4-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2-tetrafluoropropoxy)propoxy]propoxy]-2-methylbut-1-ene.
What is the SMILES notation for 3,3,4-trifluoro-4-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2-tetrafluoropropoxy)propoxy]propoxy]-2-methylbut-1-ene?
The canonical SMILES for 3,3,4-trifluoro-4-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2-tetrafluoropropoxy)propoxy]propoxy]-2-methylbut-1-ene is C=C(C)C(F)(F)C(F)OC(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)C(C)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,4-trifluoro-4-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2-tetrafluoropropoxy)propoxy]propoxy]-2-methylbut-1-ene?
The InChIKey is OSRSQHSGYIIPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F19O3/c1-4(2)7(18,19)5(15)34-13(30,31)8(20,10(22,23)24)36-14(32,33)9(21,11(25,26)27)35-12(28,29)6(3,16)17/h5H,1H2,2-3H3.
What are the key properties of 3,3,4-trifluoro-4-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2-tetrafluoropropoxy)propoxy]propoxy]-2-methylbut-1-ene?
3,3,4-trifluoro-4-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2-tetrafluoropropoxy)propoxy]propoxy]-2-methylbut-1-ene has a molecular weight of 586.18 g/mol, XLogP of 7.43, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4-trifluoro-4-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2-tetrafluoropropoxy)propoxy]propoxy]-2-methylbut-1-ene is sourced from PubChem (CID 134531086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).