1,4,5,5,5-pentafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-4-(trifluoromethyl)pent-2-ene

C10H5F15 — CID 58175754

IUPAC1,4,5,5,5-pentafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-4-(trifluoromethyl)pent-2-ene
SMILESCC(CF)=C(C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H5F15/c1-3(2-11)4(5(12,7(14,15)16)8(17,18)19)6(13,9(20,21)22)10(23,24)25/h2H2,1H3
InChIKeyMYBKTEFGGGNSST-UHFFFAOYSA-N
MW410.12 g/mol
LogP5.94
Rot. Bonds3

About 1,4,5,5,5-pentafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-4-(trifluoromethyl)pent-2-ene

1,4,5,5,5-pentafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-4-(trifluoromethyl)pent-2-ene (PubChem CID 58175754) has the molecular formula C10H5F15 and a molecular weight of 410.12 g/mol. Its IUPAC name is 1,4,5,5,5-pentafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-4-(trifluoromethyl)pent-2-ene.

Molecular Properties

Compound Name1,4,5,5,5-pentafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-4-(trifluoromethyl)pent-2-ene
PubChem CID58175754
Molecular FormulaC10H5F15
Molecular Weight410.12 g/mol
Exact Mass410.02
IUPAC Name1,4,5,5,5-pentafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-4-(trifluoromethyl)pent-2-ene
SMILESCC(CF)=C(C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H5F15/c1-3(2-11)4(5(12,7(14,15)16)8(17,18)19)6(13,9(20,21)22)10(23,24)25/h2H2,1H3
InChIKeyMYBKTEFGGGNSST-UHFFFAOYSA-N
XLogP5.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.12
LogP ≤ 55.94
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 1,4,5,5,5-pentafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-4-(trifluoromethyl)pent-2-ene?
The IUPAC name of 1,4,5,5,5-pentafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-4-(trifluoromethyl)pent-2-ene (CID 58175754) is 1,4,5,5,5-pentafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-4-(trifluoromethyl)pent-2-ene.
What is the SMILES notation for 1,4,5,5,5-pentafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-4-(trifluoromethyl)pent-2-ene?
The canonical SMILES for 1,4,5,5,5-pentafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-4-(trifluoromethyl)pent-2-ene is CC(CF)=C(C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,4,5,5,5-pentafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-4-(trifluoromethyl)pent-2-ene?
The InChIKey is MYBKTEFGGGNSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F15/c1-3(2-11)4(5(12,7(14,15)16)8(17,18)19)6(13,9(20,21)22)10(23,24)25/h2H2,1H3.
What are the key properties of 1,4,5,5,5-pentafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-4-(trifluoromethyl)pent-2-ene?
1,4,5,5,5-pentafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-4-(trifluoromethyl)pent-2-ene has a molecular weight of 410.12 g/mol, XLogP of 5.94, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5,5,5-pentafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-4-(trifluoromethyl)pent-2-ene is sourced from PubChem (CID 58175754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).