3,3,4,4,4-pentafluoro-2-(2-fluoropropan-2-yloxy)but-1-ene

C7H8F6O — CID 88596760

IUPAC3,3,4,4,4-pentafluoro-2-(2-fluoropropan-2-yloxy)but-1-ene
SMILESC=C(OC(C)(C)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H8F6O/c1-4(14-5(2,3)8)6(9,10)7(11,12)13/h1H2,2-3H3
InChIKeyAVNPGNVQFPENFX-UHFFFAOYSA-N
MW222.13 g/mol
LogP3.42
Rot. Bonds3

About 3,3,4,4,4-pentafluoro-2-(2-fluoropropan-2-yloxy)but-1-ene

3,3,4,4,4-pentafluoro-2-(2-fluoropropan-2-yloxy)but-1-ene (PubChem CID 88596760) has the molecular formula C7H8F6O and a molecular weight of 222.13 g/mol. Its IUPAC name is 3,3,4,4,4-pentafluoro-2-(2-fluoropropan-2-yloxy)but-1-ene.

Molecular Properties

Compound Name3,3,4,4,4-pentafluoro-2-(2-fluoropropan-2-yloxy)but-1-ene
PubChem CID88596760
Molecular FormulaC7H8F6O
Molecular Weight222.13 g/mol
Exact Mass222.05
IUPAC Name3,3,4,4,4-pentafluoro-2-(2-fluoropropan-2-yloxy)but-1-ene
SMILESC=C(OC(C)(C)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H8F6O/c1-4(14-5(2,3)8)6(9,10)7(11,12)13/h1H2,2-3H3
InChIKeyAVNPGNVQFPENFX-UHFFFAOYSA-N
XLogP3.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.13
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,4-pentafluoro-2-(2-fluoropropan-2-yloxy)but-1-ene?
The IUPAC name of 3,3,4,4,4-pentafluoro-2-(2-fluoropropan-2-yloxy)but-1-ene (CID 88596760) is 3,3,4,4,4-pentafluoro-2-(2-fluoropropan-2-yloxy)but-1-ene.
What is the SMILES notation for 3,3,4,4,4-pentafluoro-2-(2-fluoropropan-2-yloxy)but-1-ene?
The canonical SMILES for 3,3,4,4,4-pentafluoro-2-(2-fluoropropan-2-yloxy)but-1-ene is C=C(OC(C)(C)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 3,3,4,4,4-pentafluoro-2-(2-fluoropropan-2-yloxy)but-1-ene?
The InChIKey is AVNPGNVQFPENFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F6O/c1-4(14-5(2,3)8)6(9,10)7(11,12)13/h1H2,2-3H3.
What are the key properties of 3,3,4,4,4-pentafluoro-2-(2-fluoropropan-2-yloxy)but-1-ene?
3,3,4,4,4-pentafluoro-2-(2-fluoropropan-2-yloxy)but-1-ene has a molecular weight of 222.13 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,4-pentafluoro-2-(2-fluoropropan-2-yloxy)but-1-ene is sourced from PubChem (CID 88596760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).