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

C10F20 — CID 22642014

IUPAC(E)-1,1,1,2,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4,4-bis(trifluoromethyl)pent-2-ene
SMILESF/C(=C(/C(F)(C(F)(F)F)C(F)(F)F)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10F20/c11-2(5(13,14)15)1(4(12,9(25,26)27)10(28,29)30)3(6(16,17)18,7(19,20)21)8(22,23)24/b2-1+
InChIKeyTVLCPWRXKMDNKI-OWOJBTEDSA-N
MW500.07 g/mol
LogP7.28
Rot. Bonds2

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

(E)-1,1,1,2,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4,4-bis(trifluoromethyl)pent-2-ene (PubChem CID 22642014) has the molecular formula C10F20 and a molecular weight of 500.07 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)-4,4-bis(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)-4,4-bis(trifluoromethyl)pent-2-ene
PubChem CID22642014
Molecular FormulaC10F20
Molecular Weight500.07 g/mol
Exact Mass499.97
IUPAC Name(E)-1,1,1,2,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4,4-bis(trifluoromethyl)pent-2-ene
SMILESF/C(=C(/C(F)(C(F)(F)F)C(F)(F)F)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10F20/c11-2(5(13,14)15)1(4(12,9(25,26)27)10(28,29)30)3(6(16,17)18,7(19,20)21)8(22,23)24/b2-1+
InChIKeyTVLCPWRXKMDNKI-OWOJBTEDSA-N
XLogP7.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.07
LogP ≤ 57.28
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)-4,4-bis(trifluoromethyl)pent-2-ene with MolForge

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Related Compounds

1,1,1,4,5,5,5-Heptafluoro-3-(pentafluoroethyl)-2,4-bis(trifluoromethyl)pent-2-ene
CID 121670
(2Z)-1,1,1,2,4,4,5,5,5-Nonafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pent-2-ene
CID 9908930
(2E)-1,1,1,2,4,4,5,5,5-Nonafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pent-2-ene
CID 11732112
Perfluoro(3-isopropyl-4-methyl-2-pentene)
CID 12708035
Perfluoro(3-ethyl-4-methyl-2-pentene)
CID 73077840
Perfluoro-2,6,6-trimethyl-2-heptene
CID 12660884
Perfluoro-2,5,5-trimethyl-2-hexene
CID 12860796
Perfluoro-3,4-dimethyl-4-ethylhex-2-ene
CID 527537
Perfluoro-t-butylcyclobutene
CID 14007675
Perfluoro-2-t-butyl-3-methylbut-1-ene
CID 14594410
2-Hexene, 4-ethyl, 3,4-dimethyl, perfluoro-
CID 5352546
(Z)-2-Methyl-3-[1,1-bis(trifluoromethyl)ethyl]-4-(trifluoromethyl)-1,1,1,4,5,5,5-heptafluoro-2-pentene
CID 11305288

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)-4,4-bis(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)-4,4-bis(trifluoromethyl)pent-2-ene (CID 22642014) is (E)-1,1,1,2,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4,4-bis(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)-4,4-bis(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)-4,4-bis(trifluoromethyl)pent-2-ene is F/C(=C(/C(F)(C(F)(F)F)C(F)(F)F)C(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)-4,4-bis(trifluoromethyl)pent-2-ene?
The InChIKey is TVLCPWRXKMDNKI-OWOJBTEDSA-N. The full InChI is InChI=1S/C10F20/c11-2(5(13,14)15)1(4(12,9(25,26)27)10(28,29)30)3(6(16,17)18,7(19,20)21)8(22,23)24/b2-1+.
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)-4,4-bis(trifluoromethyl)pent-2-ene?
(E)-1,1,1,2,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4,4-bis(trifluoromethyl)pent-2-ene has a molecular weight of 500.07 g/mol, XLogP of 7.28, 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)-4,4-bis(trifluoromethyl)pent-2-ene is sourced from PubChem (CID 22642014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).