1,1,1,3,4,4,5,5,7,7,7-undecafluoro-2,6,6-tris(trifluoromethyl)hept-2-ene

C10F20 — CID 12660884

IUPAC1,1,1,3,4,4,5,5,7,7,7-undecafluoro-2,6,6-tris(trifluoromethyl)hept-2-ene
SMILESFC(=C(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10F20/c11-2(1(4(14,15)16)5(17,18)19)3(12,13)7(20,21)6(8(22,23)24,9(25,26)27)10(28,29)30
InChIKeyYNWVZSQZMKJGHD-UHFFFAOYSA-N
MW500.07 g/mol
LogP7.28
Rot. Bonds3

About 1,1,1,3,4,4,5,5,7,7,7-undecafluoro-2,6,6-tris(trifluoromethyl)hept-2-ene

1,1,1,3,4,4,5,5,7,7,7-undecafluoro-2,6,6-tris(trifluoromethyl)hept-2-ene (PubChem CID 12660884) has the molecular formula C10F20 and a molecular weight of 500.07 g/mol. Its IUPAC name is 1,1,1,3,4,4,5,5,7,7,7-undecafluoro-2,6,6-tris(trifluoromethyl)hept-2-ene.

Molecular Properties

Compound Name1,1,1,3,4,4,5,5,7,7,7-undecafluoro-2,6,6-tris(trifluoromethyl)hept-2-ene
PubChem CID12660884
Molecular FormulaC10F20
Molecular Weight500.07 g/mol
Exact Mass499.97
IUPAC Name1,1,1,3,4,4,5,5,7,7,7-undecafluoro-2,6,6-tris(trifluoromethyl)hept-2-ene
SMILESFC(=C(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10F20/c11-2(1(4(14,15)16)5(17,18)19)3(12,13)7(20,21)6(8(22,23)24,9(25,26)27)10(28,29)30
InChIKeyYNWVZSQZMKJGHD-UHFFFAOYSA-N
XLogP7.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.07
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,1,1,3,4,4,5,5,7,7,7-undecafluoro-2,6,6-tris(trifluoromethyl)hept-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-2,5,5-trimethyl-2-hexene
CID 12860796
Perfluoro-3,4-dimethyl-4-ethylhex-2-ene
CID 527537
Perfluoro-t-butylcyclobutene
CID 14007675
1,2,3,3,4,4-Hexakis(trifluoromethyl)cyclobutene
CID 139264064
2-Hexene, 4-ethyl, 3,4-dimethyl, perfluoro-
CID 5352546
1,3,3,4,4,5,5-Heptafluoro-2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclopentene
CID 14007677
3-(Difluoromethylidene)-1,1-difluoro-4-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-2,2-bis(trifluoromethyl)cyclobutane
CID 12636904

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,4,4,5,5,7,7,7-undecafluoro-2,6,6-tris(trifluoromethyl)hept-2-ene?
The IUPAC name of 1,1,1,3,4,4,5,5,7,7,7-undecafluoro-2,6,6-tris(trifluoromethyl)hept-2-ene (CID 12660884) is 1,1,1,3,4,4,5,5,7,7,7-undecafluoro-2,6,6-tris(trifluoromethyl)hept-2-ene.
What is the SMILES notation for 1,1,1,3,4,4,5,5,7,7,7-undecafluoro-2,6,6-tris(trifluoromethyl)hept-2-ene?
The canonical SMILES for 1,1,1,3,4,4,5,5,7,7,7-undecafluoro-2,6,6-tris(trifluoromethyl)hept-2-ene is FC(=C(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,4,4,5,5,7,7,7-undecafluoro-2,6,6-tris(trifluoromethyl)hept-2-ene?
The InChIKey is YNWVZSQZMKJGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10F20/c11-2(1(4(14,15)16)5(17,18)19)3(12,13)7(20,21)6(8(22,23)24,9(25,26)27)10(28,29)30.
What are the key properties of 1,1,1,3,4,4,5,5,7,7,7-undecafluoro-2,6,6-tris(trifluoromethyl)hept-2-ene?
1,1,1,3,4,4,5,5,7,7,7-undecafluoro-2,6,6-tris(trifluoromethyl)hept-2-ene has a molecular weight of 500.07 g/mol, XLogP of 7.28, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,4,4,5,5,7,7,7-undecafluoro-2,6,6-tris(trifluoromethyl)hept-2-ene is sourced from PubChem (CID 12660884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).