6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-henicosafluoro-3-methylpentadec-2-ene

C16H11F21 — CID 141205616

IUPAC6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-henicosafluoro-3-methylpentadec-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)C(F)(F)C(F)(F)F
InChIInChI=1S/C16H11F21/c1-3-6(2)4-5-7(17,18)8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)13(29,30)14(31,32)15(33,34)16(35,36)37/h3H,4-5H2,1-2H3
InChIKeyMBCVRYDLLDKTFS-UHFFFAOYSA-N
MW602.22 g/mol
LogP9.01
Rot. Bonds11

About 6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-henicosafluoro-3-methylpentadec-2-ene

6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-henicosafluoro-3-methylpentadec-2-ene (PubChem CID 141205616) has the molecular formula C16H11F21 and a molecular weight of 602.22 g/mol. Its IUPAC name is 6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-henicosafluoro-3-methylpentadec-2-ene.

Molecular Properties

Compound Name6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-henicosafluoro-3-methylpentadec-2-ene
PubChem CID141205616
Molecular FormulaC16H11F21
Molecular Weight602.22 g/mol
Exact Mass602.05
IUPAC Name6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-henicosafluoro-3-methylpentadec-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)C(F)(F)C(F)(F)F
InChIInChI=1S/C16H11F21/c1-3-6(2)4-5-7(17,18)8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)13(29,30)14(31,32)15(33,34)16(35,36)37/h3H,4-5H2,1-2H3
InChIKeyMBCVRYDLLDKTFS-UHFFFAOYSA-N
XLogP9.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.22
LogP ≤ 59.01
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 6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-henicosafluoro-3-methylpentadec-2-ene?
The IUPAC name of 6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-henicosafluoro-3-methylpentadec-2-ene (CID 141205616) is 6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-henicosafluoro-3-methylpentadec-2-ene.
What is the SMILES notation for 6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-henicosafluoro-3-methylpentadec-2-ene?
The canonical SMILES for 6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-henicosafluoro-3-methylpentadec-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)C(F)(F)C(F)(F)F.
What is the InChIKey of 6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-henicosafluoro-3-methylpentadec-2-ene?
The InChIKey is MBCVRYDLLDKTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F21/c1-3-6(2)4-5-7(17,18)8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)13(29,30)14(31,32)15(33,34)16(35,36)37/h3H,4-5H2,1-2H3.
What are the key properties of 6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-henicosafluoro-3-methylpentadec-2-ene?
6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-henicosafluoro-3-methylpentadec-2-ene has a molecular weight of 602.22 g/mol, XLogP of 9.01, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-henicosafluoro-3-methylpentadec-2-ene is sourced from PubChem (CID 141205616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).