1,1,1,2,2-pentafluorononadecane

C19H35F5 — CID 98452406

IUPAC1,1,1,2,2-pentafluorononadecane
SMILESCCCCCCCCCCCCCCCCCC(F)(F)C(F)(F)F
InChIInChI=1S/C19H35F5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(20,21)19(22,23)24/h2-17H2,1H3
InChIKeyJJWZNPPHCXYXGZ-UHFFFAOYSA-N
MW358.48 g/mol
LogP8.45
Rot. Bonds16

About 1,1,1,2,2-pentafluorononadecane

1,1,1,2,2-pentafluorononadecane (PubChem CID 98452406) has the molecular formula C19H35F5 and a molecular weight of 358.48 g/mol. Its IUPAC name is 1,1,1,2,2-pentafluorononadecane.

Molecular Properties

Compound Name1,1,1,2,2-pentafluorononadecane
PubChem CID98452406
Molecular FormulaC19H35F5
Molecular Weight358.48 g/mol
Exact Mass358.27
IUPAC Name1,1,1,2,2-pentafluorononadecane
SMILESCCCCCCCCCCCCCCCCCC(F)(F)C(F)(F)F
InChIInChI=1S/C19H35F5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(20,21)19(22,23)24/h2-17H2,1H3
InChIKeyJJWZNPPHCXYXGZ-UHFFFAOYSA-N
XLogP8.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.48
LogP ≤ 58.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,1,1,2,2-pentafluoro-8-iodooctane;1,1,1,2,2-pentafluorononane
CID 90829003
1-(7,7,8,8,8-pentafluorooctoxy)dodecane
CID 122503667
ethane;1,1,1,2,2-pentafluorohexane
CID 167481670
1,1,1,2,2,3,3-heptafluoroicosane
CID 98452405
9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16-hexadecafluorohexacosane
CID 89419205
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluorooctacosane
CID 99647814
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-heptadecafluorodotriacontane
CID 138394291
3,3,4,4,5,5,6,6-octafluorotridecane
CID 121404861
6-(3,3,4,4,4-pentafluorobutyl)dodecane
CID 126695237

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2-pentafluorononadecane?
The IUPAC name of 1,1,1,2,2-pentafluorononadecane (CID 98452406) is 1,1,1,2,2-pentafluorononadecane.
What is the SMILES notation for 1,1,1,2,2-pentafluorononadecane?
The canonical SMILES for 1,1,1,2,2-pentafluorononadecane is CCCCCCCCCCCCCCCCCC(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2-pentafluorononadecane?
The InChIKey is JJWZNPPHCXYXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35F5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(20,21)19(22,23)24/h2-17H2,1H3.
What are the key properties of 1,1,1,2,2-pentafluorononadecane?
1,1,1,2,2-pentafluorononadecane has a molecular weight of 358.48 g/mol, XLogP of 8.45, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2-pentafluorononadecane is sourced from PubChem (CID 98452406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).