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

C9F18 — CID 14594409

IUPAC1,1,3,4,4,5,5,5-octafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(trifluoromethyl)pent-1-ene
SMILESFC(F)=C(C(F)(F)F)C(F)(C(F)(F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9F18/c10-2(11)1(4(13,14)15)3(12,6(17,18)9(25,26)27)5(16,7(19,20)21)8(22,23)24
InChIKeyQJEALSMBMHGDCF-UHFFFAOYSA-N
MW450.06 g/mol
LogP6.44
Rot. Bonds3

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

1,1,3,4,4,5,5,5-octafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(trifluoromethyl)pent-1-ene (PubChem CID 14594409) has the molecular formula C9F18 and a molecular weight of 450.06 g/mol. Its IUPAC name is 1,1,3,4,4,5,5,5-octafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(trifluoromethyl)pent-1-ene.

Molecular Properties

Compound Name1,1,3,4,4,5,5,5-octafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(trifluoromethyl)pent-1-ene
PubChem CID14594409
Molecular FormulaC9F18
Molecular Weight450.06 g/mol
Exact Mass449.97
IUPAC Name1,1,3,4,4,5,5,5-octafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(trifluoromethyl)pent-1-ene
SMILESFC(F)=C(C(F)(F)F)C(F)(C(F)(F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9F18/c10-2(11)1(4(13,14)15)3(12,6(17,18)9(25,26)27)5(16,7(19,20)21)8(22,23)24
InChIKeyQJEALSMBMHGDCF-UHFFFAOYSA-N
XLogP6.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.06
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,3,4,4,5,5,5-octafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(trifluoromethyl)pent-1-ene?
The IUPAC name of 1,1,3,4,4,5,5,5-octafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(trifluoromethyl)pent-1-ene (CID 14594409) is 1,1,3,4,4,5,5,5-octafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(trifluoromethyl)pent-1-ene.
What is the SMILES notation for 1,1,3,4,4,5,5,5-octafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(trifluoromethyl)pent-1-ene?
The canonical SMILES for 1,1,3,4,4,5,5,5-octafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(trifluoromethyl)pent-1-ene is FC(F)=C(C(F)(F)F)C(F)(C(F)(F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,3,4,4,5,5,5-octafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(trifluoromethyl)pent-1-ene?
The InChIKey is QJEALSMBMHGDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9F18/c10-2(11)1(4(13,14)15)3(12,6(17,18)9(25,26)27)5(16,7(19,20)21)8(22,23)24.
What are the key properties of 1,1,3,4,4,5,5,5-octafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(trifluoromethyl)pent-1-ene?
1,1,3,4,4,5,5,5-octafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(trifluoromethyl)pent-1-ene has a molecular weight of 450.06 g/mol, XLogP of 6.44, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,4,4,5,5,5-octafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(trifluoromethyl)pent-1-ene is sourced from PubChem (CID 14594409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).