1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-propan-2-yloxy-4-(trifluoromethyl)pent-2-ene

C12H7F17O — CID 146326563

IUPAC1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-propan-2-yloxy-4-(trifluoromethyl)pent-2-ene
SMILESCC(C)OC(=C(C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H7F17O/c1-3(2)30-5(8(15,16)17)4(6(13,9(18,19)20)10(21,22)23)7(14,11(24,25)26)12(27,28)29/h3H,1-2H3
InChIKeyFQXQXNPPLOMLJV-UHFFFAOYSA-N
MW490.15 g/mol
LogP6.89
Rot. Bonds4

About 1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-propan-2-yloxy-4-(trifluoromethyl)pent-2-ene

1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-propan-2-yloxy-4-(trifluoromethyl)pent-2-ene (PubChem CID 146326563) has the molecular formula C12H7F17O and a molecular weight of 490.15 g/mol. Its IUPAC name is 1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-propan-2-yloxy-4-(trifluoromethyl)pent-2-ene.

Molecular Properties

Compound Name1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-propan-2-yloxy-4-(trifluoromethyl)pent-2-ene
PubChem CID146326563
Molecular FormulaC12H7F17O
Molecular Weight490.15 g/mol
Exact Mass490.02
IUPAC Name1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-propan-2-yloxy-4-(trifluoromethyl)pent-2-ene
SMILESCC(C)OC(=C(C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H7F17O/c1-3(2)30-5(8(15,16)17)4(6(13,9(18,19)20)10(21,22)23)7(14,11(24,25)26)12(27,28)29/h3H,1-2H3
InChIKeyFQXQXNPPLOMLJV-UHFFFAOYSA-N
XLogP6.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.15
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-propan-2-yloxy-4-(trifluoromethyl)pent-2-ene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-propan-2-yloxy-4-(trifluoromethyl)pent-2-ene?
The IUPAC name of 1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-propan-2-yloxy-4-(trifluoromethyl)pent-2-ene (CID 146326563) is 1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-propan-2-yloxy-4-(trifluoromethyl)pent-2-ene.
What is the SMILES notation for 1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-propan-2-yloxy-4-(trifluoromethyl)pent-2-ene?
The canonical SMILES for 1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-propan-2-yloxy-4-(trifluoromethyl)pent-2-ene is CC(C)OC(=C(C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-propan-2-yloxy-4-(trifluoromethyl)pent-2-ene?
The InChIKey is FQXQXNPPLOMLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F17O/c1-3(2)30-5(8(15,16)17)4(6(13,9(18,19)20)10(21,22)23)7(14,11(24,25)26)12(27,28)29/h3H,1-2H3.
What are the key properties of 1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-propan-2-yloxy-4-(trifluoromethyl)pent-2-ene?
1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-propan-2-yloxy-4-(trifluoromethyl)pent-2-ene has a molecular weight of 490.15 g/mol, XLogP of 6.89, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-propan-2-yloxy-4-(trifluoromethyl)pent-2-ene is sourced from PubChem (CID 146326563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).