3,3,4-trifluoro-4-(1,1,2,3,3,3-hexafluoro-2-methoxypropoxy)-2-methylbut-1-ene

C9H9F9O2 — CID 134531035

IUPAC3,3,4-trifluoro-4-(1,1,2,3,3,3-hexafluoro-2-methoxypropoxy)-2-methylbut-1-ene
SMILESC=C(C)C(F)(F)C(F)OC(F)(F)C(F)(OC)C(F)(F)F
InChIInChI=1S/C9H9F9O2/c1-4(2)6(11,12)5(10)20-9(17,18)7(13,19-3)8(14,15)16/h5H,1H2,2-3H3
InChIKeyXAXNYTPGAXHWDG-UHFFFAOYSA-N
MW320.15 g/mol
LogP3.98
Rot. Bonds6

About 3,3,4-trifluoro-4-(1,1,2,3,3,3-hexafluoro-2-methoxypropoxy)-2-methylbut-1-ene

3,3,4-trifluoro-4-(1,1,2,3,3,3-hexafluoro-2-methoxypropoxy)-2-methylbut-1-ene (PubChem CID 134531035) has the molecular formula C9H9F9O2 and a molecular weight of 320.15 g/mol. Its IUPAC name is 3,3,4-trifluoro-4-(1,1,2,3,3,3-hexafluoro-2-methoxypropoxy)-2-methylbut-1-ene.

Molecular Properties

Compound Name3,3,4-trifluoro-4-(1,1,2,3,3,3-hexafluoro-2-methoxypropoxy)-2-methylbut-1-ene
PubChem CID134531035
Molecular FormulaC9H9F9O2
Molecular Weight320.15 g/mol
Exact Mass320.05
IUPAC Name3,3,4-trifluoro-4-(1,1,2,3,3,3-hexafluoro-2-methoxypropoxy)-2-methylbut-1-ene
SMILESC=C(C)C(F)(F)C(F)OC(F)(F)C(F)(OC)C(F)(F)F
InChIInChI=1S/C9H9F9O2/c1-4(2)6(11,12)5(10)20-9(17,18)7(13,19-3)8(14,15)16/h5H,1H2,2-3H3
InChIKeyXAXNYTPGAXHWDG-UHFFFAOYSA-N
XLogP3.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.15
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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-methoxypropoxy)-2-methylbut-1-ene?
The IUPAC name of 3,3,4-trifluoro-4-(1,1,2,3,3,3-hexafluoro-2-methoxypropoxy)-2-methylbut-1-ene (CID 134531035) is 3,3,4-trifluoro-4-(1,1,2,3,3,3-hexafluoro-2-methoxypropoxy)-2-methylbut-1-ene.
What is the SMILES notation for 3,3,4-trifluoro-4-(1,1,2,3,3,3-hexafluoro-2-methoxypropoxy)-2-methylbut-1-ene?
The canonical SMILES for 3,3,4-trifluoro-4-(1,1,2,3,3,3-hexafluoro-2-methoxypropoxy)-2-methylbut-1-ene is C=C(C)C(F)(F)C(F)OC(F)(F)C(F)(OC)C(F)(F)F.
What is the InChIKey of 3,3,4-trifluoro-4-(1,1,2,3,3,3-hexafluoro-2-methoxypropoxy)-2-methylbut-1-ene?
The InChIKey is XAXNYTPGAXHWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F9O2/c1-4(2)6(11,12)5(10)20-9(17,18)7(13,19-3)8(14,15)16/h5H,1H2,2-3H3.
What are the key properties of 3,3,4-trifluoro-4-(1,1,2,3,3,3-hexafluoro-2-methoxypropoxy)-2-methylbut-1-ene?
3,3,4-trifluoro-4-(1,1,2,3,3,3-hexafluoro-2-methoxypropoxy)-2-methylbut-1-ene has a molecular weight of 320.15 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 2 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-methoxypropoxy)-2-methylbut-1-ene is sourced from PubChem (CID 134531035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).