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

C10H3F17 — CID 11316770

IUPAC(E)-1,1,1,2,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-methyl-4-(trifluoromethyl)pent-2-ene
SMILESCC(/C(=C(\F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H3F17/c1-4(7(16,17)18,8(19,20)21)2(3(11)6(13,14)15)5(12,9(22,23)24)10(25,26)27/h1H3/b3-2+
InChIKeyRMKAQSJKBPBPOE-NSCUHMNNSA-N
MW446.10 g/mol
LogP6.74
Rot. Bonds2

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

(E)-1,1,1,2,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-methyl-4-(trifluoromethyl)pent-2-ene (PubChem CID 11316770) has the molecular formula C10H3F17 and a molecular weight of 446.10 g/mol. Its IUPAC name is (E)-1,1,1,2,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-methyl-4-(trifluoromethyl)pent-2-ene.

Molecular Properties

Compound Name(E)-1,1,1,2,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-methyl-4-(trifluoromethyl)pent-2-ene
PubChem CID11316770
Molecular FormulaC10H3F17
Molecular Weight446.10 g/mol
Exact Mass446.00
IUPAC Name(E)-1,1,1,2,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-methyl-4-(trifluoromethyl)pent-2-ene
SMILESCC(/C(=C(\F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H3F17/c1-4(7(16,17)18,8(19,20)21)2(3(11)6(13,14)15)5(12,9(22,23)24)10(25,26)27/h1H3/b3-2+
InChIKeyRMKAQSJKBPBPOE-NSCUHMNNSA-N
XLogP6.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.10
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1,1,1,2,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-methyl-4-(trifluoromethyl)pent-2-ene?
The IUPAC name of (E)-1,1,1,2,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-methyl-4-(trifluoromethyl)pent-2-ene (CID 11316770) is (E)-1,1,1,2,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-methyl-4-(trifluoromethyl)pent-2-ene.
What is the SMILES notation for (E)-1,1,1,2,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-methyl-4-(trifluoromethyl)pent-2-ene?
The canonical SMILES for (E)-1,1,1,2,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-methyl-4-(trifluoromethyl)pent-2-ene is CC(/C(=C(\F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of (E)-1,1,1,2,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-methyl-4-(trifluoromethyl)pent-2-ene?
The InChIKey is RMKAQSJKBPBPOE-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H3F17/c1-4(7(16,17)18,8(19,20)21)2(3(11)6(13,14)15)5(12,9(22,23)24)10(25,26)27/h1H3/b3-2+.
What are the key properties of (E)-1,1,1,2,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-methyl-4-(trifluoromethyl)pent-2-ene?
(E)-1,1,1,2,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-methyl-4-(trifluoromethyl)pent-2-ene has a molecular weight of 446.10 g/mol, XLogP of 6.74, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1,1,2,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-methyl-4-(trifluoromethyl)pent-2-ene is sourced from PubChem (CID 11316770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).