6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluoro-3-methyltridec-2-ene

C14H11F17 — CID 141156186

IUPAC6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluoro-3-methyltridec-2-ene
SMILESCC=C(C)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H11F17/c1-3-6(2)4-5-7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)31/h3H,4-5H2,1-2H3
InChIKeyXMUSXHLLDNREJA-UHFFFAOYSA-N
MW502.21 g/mol
LogP7.74
Rot. Bonds9

About 6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluoro-3-methyltridec-2-ene

6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluoro-3-methyltridec-2-ene (PubChem CID 141156186) has the molecular formula C14H11F17 and a molecular weight of 502.21 g/mol. Its IUPAC name is 6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluoro-3-methyltridec-2-ene.

Molecular Properties

Compound Name6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluoro-3-methyltridec-2-ene
PubChem CID141156186
Molecular FormulaC14H11F17
Molecular Weight502.21 g/mol
Exact Mass502.06
IUPAC Name6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluoro-3-methyltridec-2-ene
SMILESCC=C(C)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H11F17/c1-3-6(2)4-5-7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)31/h3H,4-5H2,1-2H3
InChIKeyXMUSXHLLDNREJA-UHFFFAOYSA-N
XLogP7.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.21
LogP ≤ 57.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluoro-3-methyltridec-2-ene?
The IUPAC name of 6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluoro-3-methyltridec-2-ene (CID 141156186) is 6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluoro-3-methyltridec-2-ene.
What is the SMILES notation for 6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluoro-3-methyltridec-2-ene?
The canonical SMILES for 6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluoro-3-methyltridec-2-ene is CC=C(C)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluoro-3-methyltridec-2-ene?
The InChIKey is XMUSXHLLDNREJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F17/c1-3-6(2)4-5-7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)31/h3H,4-5H2,1-2H3.
What are the key properties of 6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluoro-3-methyltridec-2-ene?
6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluoro-3-methyltridec-2-ene has a molecular weight of 502.21 g/mol, XLogP of 7.74, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluoro-3-methyltridec-2-ene is sourced from PubChem (CID 141156186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).