16,16,17,17,17-pentafluoro-9-methylheptadec-1-ene

C18H31F5 — CID 20579549

IUPAC16,16,17,17,17-pentafluoro-9-methylheptadec-1-ene
SMILESC=CCCCCCCC(C)CCCCCCC(F)(F)C(F)(F)F
InChIInChI=1S/C18H31F5/c1-3-4-5-6-7-10-13-16(2)14-11-8-9-12-15-17(19,20)18(21,22)23/h3,16H,1,4-15H2,2H3
InChIKeyJGMDCJIUWLFLPO-UHFFFAOYSA-N
MW342.44 g/mol
LogP7.69
Rot. Bonds14

About 16,16,17,17,17-pentafluoro-9-methylheptadec-1-ene

16,16,17,17,17-pentafluoro-9-methylheptadec-1-ene (PubChem CID 20579549) has the molecular formula C18H31F5 and a molecular weight of 342.44 g/mol. Its IUPAC name is 16,16,17,17,17-pentafluoro-9-methylheptadec-1-ene.

Molecular Properties

Compound Name16,16,17,17,17-pentafluoro-9-methylheptadec-1-ene
PubChem CID20579549
Molecular FormulaC18H31F5
Molecular Weight342.44 g/mol
Exact Mass342.23
IUPAC Name16,16,17,17,17-pentafluoro-9-methylheptadec-1-ene
SMILESC=CCCCCCCC(C)CCCCCCC(F)(F)C(F)(F)F
InChIInChI=1S/C18H31F5/c1-3-4-5-6-7-10-13-16(2)14-11-8-9-12-15-17(19,20)18(21,22)23/h3,16H,1,4-15H2,2H3
InChIKeyJGMDCJIUWLFLPO-UHFFFAOYSA-N
XLogP7.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.44
LogP ≤ 57.69
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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Frequently Asked Questions

What is the IUPAC name of 16,16,17,17,17-pentafluoro-9-methylheptadec-1-ene?
The IUPAC name of 16,16,17,17,17-pentafluoro-9-methylheptadec-1-ene (CID 20579549) is 16,16,17,17,17-pentafluoro-9-methylheptadec-1-ene.
What is the SMILES notation for 16,16,17,17,17-pentafluoro-9-methylheptadec-1-ene?
The canonical SMILES for 16,16,17,17,17-pentafluoro-9-methylheptadec-1-ene is C=CCCCCCCC(C)CCCCCCC(F)(F)C(F)(F)F.
What is the InChIKey of 16,16,17,17,17-pentafluoro-9-methylheptadec-1-ene?
The InChIKey is JGMDCJIUWLFLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31F5/c1-3-4-5-6-7-10-13-16(2)14-11-8-9-12-15-17(19,20)18(21,22)23/h3,16H,1,4-15H2,2H3.
What are the key properties of 16,16,17,17,17-pentafluoro-9-methylheptadec-1-ene?
16,16,17,17,17-pentafluoro-9-methylheptadec-1-ene has a molecular weight of 342.44 g/mol, XLogP of 7.69, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 16,16,17,17,17-pentafluoro-9-methylheptadec-1-ene is sourced from PubChem (CID 20579549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).