cesium 1,1,1,3,5,5,5-heptafluoro-2,4-bis(trifluoromethyl)pent-2-ene

C7CsF13 — CID 12702819

IUPACcesium 1,1,1,3,5,5,5-heptafluoro-2,4-bis(trifluoromethyl)pent-2-ene
SMILESFC(=C(C(F)(F)F)C(F)(F)F)[C-](C(F)(F)F)C(F)(F)F.[Cs+]
InChIInChI=1S/C7F13.Cs/c8-1(2(4(9,10)11)5(12,13)14)3(6(15,16)17)7(18,19)20;/q-1;+1
InChIKeyVRSGYOUHLUZLHP-UHFFFAOYSA-N
MW463.96 g/mol
LogP2.04
Rot. Bonds1

About cesium 1,1,1,3,5,5,5-heptafluoro-2,4-bis(trifluoromethyl)pent-2-ene

cesium 1,1,1,3,5,5,5-heptafluoro-2,4-bis(trifluoromethyl)pent-2-ene (PubChem CID 12702819) has the molecular formula C7CsF13 and a molecular weight of 463.96 g/mol. Its IUPAC name is cesium 1,1,1,3,5,5,5-heptafluoro-2,4-bis(trifluoromethyl)pent-2-ene.

Molecular Properties

Compound Namecesium 1,1,1,3,5,5,5-heptafluoro-2,4-bis(trifluoromethyl)pent-2-ene
PubChem CID12702819
Molecular FormulaC7CsF13
Molecular Weight463.96 g/mol
Exact Mass463.88
IUPAC Namecesium 1,1,1,3,5,5,5-heptafluoro-2,4-bis(trifluoromethyl)pent-2-ene
SMILESFC(=C(C(F)(F)F)C(F)(F)F)[C-](C(F)(F)F)C(F)(F)F.[Cs+]
InChIInChI=1S/C7F13.Cs/c8-1(2(4(9,10)11)5(12,13)14)3(6(15,16)17)7(18,19)20;/q-1;+1
InChIKeyVRSGYOUHLUZLHP-UHFFFAOYSA-N
XLogP2.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.96
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

Perfluoro(2-methyl-2-pentene)
CID 74105
1,1,1,2,3,4,5,5,5(Or1,1,1,3,4,4,5,5,5)-nonafluoro-4(or2)-(trifluoromethyl)pent-2-ene
CID 2776241
Perfluoro-4-methyl-2-pentene
CID 3484542
2-Pentene, 1,1,1,2,3,4,5,5,5-nonafluoro-4-(trifluoromethyl)-, (Z)-
CID 11012007
Perfluoromethyl(diisopropyl) ethylene
CID 54050815
(3Z)-1,1,4,5,5,5-hexafluoro-2,3-bis(trifluoromethyl)penta-1,3-diene
CID 12708033
2-Pentene, 1,1,1,3,4,5,5,5-octafluoro-2,4-bis(trifluoromethyl)-
CID 10970150
Perfluoro-2-methyl-2-hexene
CID 11233394
(E)-3-(Trifluoromethyl)nonafluoro-2-pentene
CID 13033398
1,3,3,4,4-Pentafluoro-2-(trifluoromethyl)cyclobutene
CID 20082199
Perfluoro-3-methyl-2-pentene
CID 53733725
1,1,1,2,2,5,5,6,6,6-Decafluoro-3,4-bis(trifluoromethyl)hex-3-ene
CID 54539248

Frequently Asked Questions

What is the IUPAC name of cesium 1,1,1,3,5,5,5-heptafluoro-2,4-bis(trifluoromethyl)pent-2-ene?
The IUPAC name of cesium 1,1,1,3,5,5,5-heptafluoro-2,4-bis(trifluoromethyl)pent-2-ene (CID 12702819) is cesium 1,1,1,3,5,5,5-heptafluoro-2,4-bis(trifluoromethyl)pent-2-ene.
What is the SMILES notation for cesium 1,1,1,3,5,5,5-heptafluoro-2,4-bis(trifluoromethyl)pent-2-ene?
The canonical SMILES for cesium 1,1,1,3,5,5,5-heptafluoro-2,4-bis(trifluoromethyl)pent-2-ene is FC(=C(C(F)(F)F)C(F)(F)F)[C-](C(F)(F)F)C(F)(F)F.[Cs+].
What is the InChIKey of cesium 1,1,1,3,5,5,5-heptafluoro-2,4-bis(trifluoromethyl)pent-2-ene?
The InChIKey is VRSGYOUHLUZLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7F13.Cs/c8-1(2(4(9,10)11)5(12,13)14)3(6(15,16)17)7(18,19)20;/q-1;+1.
What are the key properties of cesium 1,1,1,3,5,5,5-heptafluoro-2,4-bis(trifluoromethyl)pent-2-ene?
cesium 1,1,1,3,5,5,5-heptafluoro-2,4-bis(trifluoromethyl)pent-2-ene has a molecular weight of 463.96 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cesium 1,1,1,3,5,5,5-heptafluoro-2,4-bis(trifluoromethyl)pent-2-ene is sourced from PubChem (CID 12702819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).