1,1,1,3,4,4,5,5,5-nonafluoro-2-(2,2,2-trifluoroethoxy)pent-2-ene

C7H2F12O — CID 142425781

IUPAC1,1,1,3,4,4,5,5,5-nonafluoro-2-(2,2,2-trifluoroethoxy)pent-2-ene
SMILESFC(=C(OCC(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H2F12O/c8-2(5(12,13)7(17,18)19)3(6(14,15)16)20-1-4(9,10)11/h1H2
InChIKeyNHKHBHKQOBLZEJ-UHFFFAOYSA-N
MW330.07 g/mol
LogP4.51
Rot. Bonds3

About 1,1,1,3,4,4,5,5,5-nonafluoro-2-(2,2,2-trifluoroethoxy)pent-2-ene

1,1,1,3,4,4,5,5,5-nonafluoro-2-(2,2,2-trifluoroethoxy)pent-2-ene (PubChem CID 142425781) has the molecular formula C7H2F12O and a molecular weight of 330.07 g/mol. Its IUPAC name is 1,1,1,3,4,4,5,5,5-nonafluoro-2-(2,2,2-trifluoroethoxy)pent-2-ene.

Molecular Properties

Compound Name1,1,1,3,4,4,5,5,5-nonafluoro-2-(2,2,2-trifluoroethoxy)pent-2-ene
PubChem CID142425781
Molecular FormulaC7H2F12O
Molecular Weight330.07 g/mol
Exact Mass329.99
IUPAC Name1,1,1,3,4,4,5,5,5-nonafluoro-2-(2,2,2-trifluoroethoxy)pent-2-ene
SMILESFC(=C(OCC(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H2F12O/c8-2(5(12,13)7(17,18)19)3(6(14,15)16)20-1-4(9,10)11/h1H2
InChIKeyNHKHBHKQOBLZEJ-UHFFFAOYSA-N
XLogP4.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.07
LogP ≤ 54.51
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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Related Compounds

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1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-9-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]oxynonane
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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,4,4,5,5,5-nonafluoro-2-(2,2,2-trifluoroethoxy)pent-2-ene?
The IUPAC name of 1,1,1,3,4,4,5,5,5-nonafluoro-2-(2,2,2-trifluoroethoxy)pent-2-ene (CID 142425781) is 1,1,1,3,4,4,5,5,5-nonafluoro-2-(2,2,2-trifluoroethoxy)pent-2-ene.
What is the SMILES notation for 1,1,1,3,4,4,5,5,5-nonafluoro-2-(2,2,2-trifluoroethoxy)pent-2-ene?
The canonical SMILES for 1,1,1,3,4,4,5,5,5-nonafluoro-2-(2,2,2-trifluoroethoxy)pent-2-ene is FC(=C(OCC(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,4,4,5,5,5-nonafluoro-2-(2,2,2-trifluoroethoxy)pent-2-ene?
The InChIKey is NHKHBHKQOBLZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2F12O/c8-2(5(12,13)7(17,18)19)3(6(14,15)16)20-1-4(9,10)11/h1H2.
What are the key properties of 1,1,1,3,4,4,5,5,5-nonafluoro-2-(2,2,2-trifluoroethoxy)pent-2-ene?
1,1,1,3,4,4,5,5,5-nonafluoro-2-(2,2,2-trifluoroethoxy)pent-2-ene has a molecular weight of 330.07 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,4,4,5,5,5-nonafluoro-2-(2,2,2-trifluoroethoxy)pent-2-ene is sourced from PubChem (CID 142425781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).