4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-hexadecafluoroicos-1-ene

C20H24F16 — CID 89419210

IUPAC4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-hexadecafluoroicos-1-ene
SMILESC=CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCCCCCCC
InChIInChI=1S/C20H24F16/c1-3-5-6-7-8-9-10-12-14(23,24)16(27,28)18(31,32)20(35,36)19(33,34)17(29,30)15(25,26)13(21,22)11-4-2/h4H,2-3,5-12H2,1H3
InChIKeyCKASFAVTWQEDTQ-UHFFFAOYSA-N
MW568.38 g/mol
LogP9.79
Rot. Bonds17

About 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-hexadecafluoroicos-1-ene

4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-hexadecafluoroicos-1-ene (PubChem CID 89419210) has the molecular formula C20H24F16 and a molecular weight of 568.38 g/mol. Its IUPAC name is 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-hexadecafluoroicos-1-ene.

Molecular Properties

Compound Name4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-hexadecafluoroicos-1-ene
PubChem CID89419210
Molecular FormulaC20H24F16
Molecular Weight568.38 g/mol
Exact Mass568.16
IUPAC Name4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-hexadecafluoroicos-1-ene
SMILESC=CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCCCCCCC
InChIInChI=1S/C20H24F16/c1-3-5-6-7-8-9-10-12-14(23,24)16(27,28)18(31,32)20(35,36)19(33,34)17(29,30)15(25,26)13(21,22)11-4-2/h4H,2-3,5-12H2,1H3
InChIKeyCKASFAVTWQEDTQ-UHFFFAOYSA-N
XLogP9.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.38
LogP ≤ 59.79
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'}

Analyze 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-hexadecafluoroicos-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16-hexadecafluorohexacosane
CID 89419205
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-undecafluoroundecane
CID 98452289
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluorooctacosane
CID 99647814
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodotriacontane
CID 138394291
(E)-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-hexadecafluoroicos-2-ene
CID 89419217
3,3,4,4,5,5,6,6-octafluorotridecane
CID 121404861
5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-hexadecafluorononadec-3-ene
CID 123318581
5,5,6,6,7,7,8,8,9,9,10,10-dodecafluoroheptadecan-1-ol
CID 121403452
2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorotridecanal
CID 11015174
1,1,1,2,2,3,3-heptafluoroicosane
CID 98452405

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-hexadecafluoroicos-1-ene?
The IUPAC name of 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-hexadecafluoroicos-1-ene (CID 89419210) is 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-hexadecafluoroicos-1-ene.
What is the SMILES notation for 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-hexadecafluoroicos-1-ene?
The canonical SMILES for 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-hexadecafluoroicos-1-ene is 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)CCCCCCCCC.
What is the InChIKey of 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-hexadecafluoroicos-1-ene?
The InChIKey is CKASFAVTWQEDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F16/c1-3-5-6-7-8-9-10-12-14(23,24)16(27,28)18(31,32)20(35,36)19(33,34)17(29,30)15(25,26)13(21,22)11-4-2/h4H,2-3,5-12H2,1H3.
What are the key properties of 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-hexadecafluoroicos-1-ene?
4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-hexadecafluoroicos-1-ene has a molecular weight of 568.38 g/mol, XLogP of 9.79, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-hexadecafluoroicos-1-ene is sourced from PubChem (CID 89419210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).