(Z)-1,1,1,8,8,10,10,12,13,13,13-undecafluoro-4,6,12-tris(trifluoromethyl)tridec-2-ene

C16H12F20 — CID 59721677

IUPAC(Z)-1,1,1,8,8,10,10,12,13,13,13-undecafluoro-4,6,12-tris(trifluoromethyl)tridec-2-ene
SMILESFC(F)(F)/C=C\C(CC(CC(F)(F)CC(F)(F)CC(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C16H12F20/c17-9(18,5-10(19,20)6-11(21,15(31,32)33)16(34,35)36)4-8(14(28,29)30)3-7(13(25,26)27)1-2-12(22,23)24/h1-2,7-8H,3-6H2/b2-1-
InChIKeyBBZAWYYRKFFDMR-UPHRSURJSA-N
MW584.23 g/mol
LogP9.13
Rot. Bonds9

About (Z)-1,1,1,8,8,10,10,12,13,13,13-undecafluoro-4,6,12-tris(trifluoromethyl)tridec-2-ene

(Z)-1,1,1,8,8,10,10,12,13,13,13-undecafluoro-4,6,12-tris(trifluoromethyl)tridec-2-ene (PubChem CID 59721677) has the molecular formula C16H12F20 and a molecular weight of 584.23 g/mol. Its IUPAC name is (Z)-1,1,1,8,8,10,10,12,13,13,13-undecafluoro-4,6,12-tris(trifluoromethyl)tridec-2-ene.

Molecular Properties

Compound Name(Z)-1,1,1,8,8,10,10,12,13,13,13-undecafluoro-4,6,12-tris(trifluoromethyl)tridec-2-ene
PubChem CID59721677
Molecular FormulaC16H12F20
Molecular Weight584.23 g/mol
Exact Mass584.06
IUPAC Name(Z)-1,1,1,8,8,10,10,12,13,13,13-undecafluoro-4,6,12-tris(trifluoromethyl)tridec-2-ene
SMILESFC(F)(F)/C=C\C(CC(CC(F)(F)CC(F)(F)CC(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C16H12F20/c17-9(18,5-10(19,20)6-11(21,15(31,32)33)16(34,35)36)4-8(14(28,29)30)3-7(13(25,26)27)1-2-12(22,23)24/h1-2,7-8H,3-6H2/b2-1-
InChIKeyBBZAWYYRKFFDMR-UPHRSURJSA-N
XLogP9.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.23
LogP ≤ 59.13
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 (Z)-1,1,1,8,8,10,10,12,13,13,13-undecafluoro-4,6,12-tris(trifluoromethyl)tridec-2-ene?
The IUPAC name of (Z)-1,1,1,8,8,10,10,12,13,13,13-undecafluoro-4,6,12-tris(trifluoromethyl)tridec-2-ene (CID 59721677) is (Z)-1,1,1,8,8,10,10,12,13,13,13-undecafluoro-4,6,12-tris(trifluoromethyl)tridec-2-ene.
What is the SMILES notation for (Z)-1,1,1,8,8,10,10,12,13,13,13-undecafluoro-4,6,12-tris(trifluoromethyl)tridec-2-ene?
The canonical SMILES for (Z)-1,1,1,8,8,10,10,12,13,13,13-undecafluoro-4,6,12-tris(trifluoromethyl)tridec-2-ene is FC(F)(F)/C=C\C(CC(CC(F)(F)CC(F)(F)CC(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of (Z)-1,1,1,8,8,10,10,12,13,13,13-undecafluoro-4,6,12-tris(trifluoromethyl)tridec-2-ene?
The InChIKey is BBZAWYYRKFFDMR-UPHRSURJSA-N. The full InChI is InChI=1S/C16H12F20/c17-9(18,5-10(19,20)6-11(21,15(31,32)33)16(34,35)36)4-8(14(28,29)30)3-7(13(25,26)27)1-2-12(22,23)24/h1-2,7-8H,3-6H2/b2-1-.
What are the key properties of (Z)-1,1,1,8,8,10,10,12,13,13,13-undecafluoro-4,6,12-tris(trifluoromethyl)tridec-2-ene?
(Z)-1,1,1,8,8,10,10,12,13,13,13-undecafluoro-4,6,12-tris(trifluoromethyl)tridec-2-ene has a molecular weight of 584.23 g/mol, XLogP of 9.13, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,1,1,8,8,10,10,12,13,13,13-undecafluoro-4,6,12-tris(trifluoromethyl)tridec-2-ene is sourced from PubChem (CID 59721677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).