3,3,4,4,5,5,6,6,6-nonafluoro-2-propan-2-yloxyhex-1-ene

C9H9F9O — CID 88681862

IUPAC3,3,4,4,5,5,6,6,6-nonafluoro-2-propan-2-yloxyhex-1-ene
SMILESC=C(OC(C)C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H9F9O/c1-4(2)19-5(3)6(10,11)7(12,13)8(14,15)9(16,17)18/h4H,3H2,1-2H3
InChIKeyONNPMDAROQKSAW-UHFFFAOYSA-N
MW304.15 g/mol
LogP4.39
Rot. Bonds5

About 3,3,4,4,5,5,6,6,6-nonafluoro-2-propan-2-yloxyhex-1-ene

3,3,4,4,5,5,6,6,6-nonafluoro-2-propan-2-yloxyhex-1-ene (PubChem CID 88681862) has the molecular formula C9H9F9O and a molecular weight of 304.15 g/mol. Its IUPAC name is 3,3,4,4,5,5,6,6,6-nonafluoro-2-propan-2-yloxyhex-1-ene.

Molecular Properties

Compound Name3,3,4,4,5,5,6,6,6-nonafluoro-2-propan-2-yloxyhex-1-ene
PubChem CID88681862
Molecular FormulaC9H9F9O
Molecular Weight304.15 g/mol
Exact Mass304.05
IUPAC Name3,3,4,4,5,5,6,6,6-nonafluoro-2-propan-2-yloxyhex-1-ene
SMILESC=C(OC(C)C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H9F9O/c1-4(2)19-5(3)6(10,11)7(12,13)8(14,15)9(16,17)18/h4H,3H2,1-2H3
InChIKeyONNPMDAROQKSAW-UHFFFAOYSA-N
XLogP4.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.15
LogP ≤ 54.39
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 3,3,4,4,5,5,6,6,6-nonafluoro-2-propan-2-yloxyhex-1-ene?
The IUPAC name of 3,3,4,4,5,5,6,6,6-nonafluoro-2-propan-2-yloxyhex-1-ene (CID 88681862) is 3,3,4,4,5,5,6,6,6-nonafluoro-2-propan-2-yloxyhex-1-ene.
What is the SMILES notation for 3,3,4,4,5,5,6,6,6-nonafluoro-2-propan-2-yloxyhex-1-ene?
The canonical SMILES for 3,3,4,4,5,5,6,6,6-nonafluoro-2-propan-2-yloxyhex-1-ene is C=C(OC(C)C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 3,3,4,4,5,5,6,6,6-nonafluoro-2-propan-2-yloxyhex-1-ene?
The InChIKey is ONNPMDAROQKSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F9O/c1-4(2)19-5(3)6(10,11)7(12,13)8(14,15)9(16,17)18/h4H,3H2,1-2H3.
What are the key properties of 3,3,4,4,5,5,6,6,6-nonafluoro-2-propan-2-yloxyhex-1-ene?
3,3,4,4,5,5,6,6,6-nonafluoro-2-propan-2-yloxyhex-1-ene has a molecular weight of 304.15 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5,6,6,6-nonafluoro-2-propan-2-yloxyhex-1-ene is sourced from PubChem (CID 88681862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).