5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-hexadecafluorononadec-3-ene

C19H22F16 — CID 123318581

IUPAC5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-hexadecafluorononadec-3-ene
SMILESCCC=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCCCCC
InChIInChI=1S/C19H22F16/c1-3-5-7-8-9-11-13(22,23)15(26,27)17(30,31)19(34,35)18(32,33)16(28,29)14(24,25)12(20,21)10-6-4-2/h6,10H,3-5,7-9,11H2,1-2H3
InChIKeyLMVATEDYVVLESY-UHFFFAOYSA-N
MW554.35 g/mol
LogP9.40
Rot. Bonds15

About 5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-hexadecafluorononadec-3-ene

5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-hexadecafluorononadec-3-ene (PubChem CID 123318581) has the molecular formula C19H22F16 and a molecular weight of 554.35 g/mol. Its IUPAC name is 5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-hexadecafluorononadec-3-ene.

Molecular Properties

Compound Name5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-hexadecafluorononadec-3-ene
PubChem CID123318581
Molecular FormulaC19H22F16
Molecular Weight554.35 g/mol
Exact Mass554.15
IUPAC Name5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-hexadecafluorononadec-3-ene
SMILESCCC=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCCCCC
InChIInChI=1S/C19H22F16/c1-3-5-7-8-9-11-13(22,23)15(26,27)17(30,31)19(34,35)18(32,33)16(28,29)14(24,25)12(20,21)10-6-4-2/h6,10H,3-5,7-9,11H2,1-2H3
InChIKeyLMVATEDYVVLESY-UHFFFAOYSA-N
XLogP9.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.35
LogP ≤ 59.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(E)-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-hexadecafluoroicos-2-ene
CID 89419217
(E)-4,4,5,5,6,6,7,7,8,8,9,9-dodecafluorotridec-10-en-1-ol
CID 121403330
9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16-hexadecafluorohexacosane
CID 89419205
2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorotridecanal
CID 11015174
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorotridecane
CID 15266676
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluoroicosane
CID 22404665
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluorooctacosane
CID 99647814
1,1,1,2,2,3,3,4,4,5,5-undecafluoroundecane
CID 98452289
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodotriacontane
CID 138394291
4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-hexadecafluoroicos-1-ene
CID 89419210
3,3,4,4,5,5,6,6-octafluorotridecane
CID 121404861
(E)-9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-heptadecafluorohexadec-7-ene
CID 12820302

Frequently Asked Questions

What is the IUPAC name of 5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-hexadecafluorononadec-3-ene?
The IUPAC name of 5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-hexadecafluorononadec-3-ene (CID 123318581) is 5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-hexadecafluorononadec-3-ene.
What is the SMILES notation for 5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-hexadecafluorononadec-3-ene?
The canonical SMILES for 5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-hexadecafluorononadec-3-ene is CCC=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCCCCC.
What is the InChIKey of 5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-hexadecafluorononadec-3-ene?
The InChIKey is LMVATEDYVVLESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F16/c1-3-5-7-8-9-11-13(22,23)15(26,27)17(30,31)19(34,35)18(32,33)16(28,29)14(24,25)12(20,21)10-6-4-2/h6,10H,3-5,7-9,11H2,1-2H3.
What are the key properties of 5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-hexadecafluorononadec-3-ene?
5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-hexadecafluorononadec-3-ene has a molecular weight of 554.35 g/mol, XLogP of 9.40, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-hexadecafluorononadec-3-ene is sourced from PubChem (CID 123318581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).