1,1,1,2-tetrafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,4-bis(trifluoromethyl)oct-3-ene

C13H9F17 — CID 23440026

IUPAC1,1,1,2-tetrafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,4-bis(trifluoromethyl)oct-3-ene
SMILESCCCCC(=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/C13H9F17/c1-2-3-4-5(9(16,17)18)6(7(14,10(19,20)21)11(22,23)24)8(15,12(25,26)27)13(28,29)30/h2-4H2,1H3
InChIKeyLSTGKTVTUWRDHN-UHFFFAOYSA-N
MW488.18 g/mol
LogP7.70
Rot. Bonds5

About 1,1,1,2-tetrafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,4-bis(trifluoromethyl)oct-3-ene

1,1,1,2-tetrafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,4-bis(trifluoromethyl)oct-3-ene (PubChem CID 23440026) has the molecular formula C13H9F17 and a molecular weight of 488.18 g/mol. Its IUPAC name is 1,1,1,2-tetrafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,4-bis(trifluoromethyl)oct-3-ene.

Molecular Properties

Compound Name1,1,1,2-tetrafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,4-bis(trifluoromethyl)oct-3-ene
PubChem CID23440026
Molecular FormulaC13H9F17
Molecular Weight488.18 g/mol
Exact Mass488.04
IUPAC Name1,1,1,2-tetrafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,4-bis(trifluoromethyl)oct-3-ene
SMILESCCCCC(=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/C13H9F17/c1-2-3-4-5(9(16,17)18)6(7(14,10(19,20)21)11(22,23)24)8(15,12(25,26)27)13(28,29)30/h2-4H2,1H3
InChIKeyLSTGKTVTUWRDHN-UHFFFAOYSA-N
XLogP7.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.18
LogP ≤ 57.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 1,1,1,2-tetrafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,4-bis(trifluoromethyl)oct-3-ene?
The IUPAC name of 1,1,1,2-tetrafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,4-bis(trifluoromethyl)oct-3-ene (CID 23440026) is 1,1,1,2-tetrafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,4-bis(trifluoromethyl)oct-3-ene.
What is the SMILES notation for 1,1,1,2-tetrafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,4-bis(trifluoromethyl)oct-3-ene?
The canonical SMILES for 1,1,1,2-tetrafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,4-bis(trifluoromethyl)oct-3-ene is CCCCC(=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 1,1,1,2-tetrafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,4-bis(trifluoromethyl)oct-3-ene?
The InChIKey is LSTGKTVTUWRDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F17/c1-2-3-4-5(9(16,17)18)6(7(14,10(19,20)21)11(22,23)24)8(15,12(25,26)27)13(28,29)30/h2-4H2,1H3.
What are the key properties of 1,1,1,2-tetrafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,4-bis(trifluoromethyl)oct-3-ene?
1,1,1,2-tetrafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,4-bis(trifluoromethyl)oct-3-ene has a molecular weight of 488.18 g/mol, XLogP of 7.70, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2-tetrafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,4-bis(trifluoromethyl)oct-3-ene is sourced from PubChem (CID 23440026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).