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

C16H15F17 — CID 76780515

IUPAC1,1,1,8,8,10,10,12,13,13,13-undecafluoro-12-methyl-4,6-bis(trifluoromethyl)tridec-2-ene
SMILESCC(F)(CC(F)(F)CC(F)(F)CC(CC(C=CC(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C16H15F17/c1-10(17,16(31,32)33)6-12(20,21)7-11(18,19)5-9(15(28,29)30)4-8(14(25,26)27)2-3-13(22,23)24/h2-3,8-9H,4-7H2,1H3
InChIKeyUGYHLIWQAUKLMH-UHFFFAOYSA-N
MW530.26 g/mol
LogP8.58
Rot. Bonds9

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

1,1,1,8,8,10,10,12,13,13,13-undecafluoro-12-methyl-4,6-bis(trifluoromethyl)tridec-2-ene (PubChem CID 76780515) has the molecular formula C16H15F17 and a molecular weight of 530.26 g/mol. Its IUPAC name is 1,1,1,8,8,10,10,12,13,13,13-undecafluoro-12-methyl-4,6-bis(trifluoromethyl)tridec-2-ene.

Molecular Properties

Compound Name1,1,1,8,8,10,10,12,13,13,13-undecafluoro-12-methyl-4,6-bis(trifluoromethyl)tridec-2-ene
PubChem CID76780515
Molecular FormulaC16H15F17
Molecular Weight530.26 g/mol
Exact Mass530.09
IUPAC Name1,1,1,8,8,10,10,12,13,13,13-undecafluoro-12-methyl-4,6-bis(trifluoromethyl)tridec-2-ene
SMILESCC(F)(CC(F)(F)CC(F)(F)CC(CC(C=CC(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C16H15F17/c1-10(17,16(31,32)33)6-12(20,21)7-11(18,19)5-9(15(28,29)30)4-8(14(25,26)27)2-3-13(22,23)24/h2-3,8-9H,4-7H2,1H3
InChIKeyUGYHLIWQAUKLMH-UHFFFAOYSA-N
XLogP8.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.26
LogP ≤ 58.58
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 1,1,1,8,8,10,10,12,13,13,13-undecafluoro-12-methyl-4,6-bis(trifluoromethyl)tridec-2-ene?
The IUPAC name of 1,1,1,8,8,10,10,12,13,13,13-undecafluoro-12-methyl-4,6-bis(trifluoromethyl)tridec-2-ene (CID 76780515) is 1,1,1,8,8,10,10,12,13,13,13-undecafluoro-12-methyl-4,6-bis(trifluoromethyl)tridec-2-ene.
What is the SMILES notation for 1,1,1,8,8,10,10,12,13,13,13-undecafluoro-12-methyl-4,6-bis(trifluoromethyl)tridec-2-ene?
The canonical SMILES for 1,1,1,8,8,10,10,12,13,13,13-undecafluoro-12-methyl-4,6-bis(trifluoromethyl)tridec-2-ene is CC(F)(CC(F)(F)CC(F)(F)CC(CC(C=CC(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,8,8,10,10,12,13,13,13-undecafluoro-12-methyl-4,6-bis(trifluoromethyl)tridec-2-ene?
The InChIKey is UGYHLIWQAUKLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F17/c1-10(17,16(31,32)33)6-12(20,21)7-11(18,19)5-9(15(28,29)30)4-8(14(25,26)27)2-3-13(22,23)24/h2-3,8-9H,4-7H2,1H3.
What are the key properties of 1,1,1,8,8,10,10,12,13,13,13-undecafluoro-12-methyl-4,6-bis(trifluoromethyl)tridec-2-ene?
1,1,1,8,8,10,10,12,13,13,13-undecafluoro-12-methyl-4,6-bis(trifluoromethyl)tridec-2-ene has a molecular weight of 530.26 g/mol, XLogP of 8.58, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,8,8,10,10,12,13,13,13-undecafluoro-12-methyl-4,6-bis(trifluoromethyl)tridec-2-ene is sourced from PubChem (CID 76780515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).