1,1,1,2,2,3,3-heptafluoroicosane

C20H35F7 — CID 98452405

IUPAC1,1,1,2,2,3,3-heptafluoroicosane
SMILESCCCCCCCCCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C20H35F7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(21,22)19(23,24)20(25,26)27/h2-17H2,1H3
InChIKeyMILQBEVAWUBARL-UHFFFAOYSA-N
MW408.49 g/mol
LogP9.08
Rot. Bonds17

About 1,1,1,2,2,3,3-heptafluoroicosane

1,1,1,2,2,3,3-heptafluoroicosane (PubChem CID 98452405) has the molecular formula C20H35F7 and a molecular weight of 408.49 g/mol. Its IUPAC name is 1,1,1,2,2,3,3-heptafluoroicosane.

Molecular Properties

Compound Name1,1,1,2,2,3,3-heptafluoroicosane
PubChem CID98452405
Molecular FormulaC20H35F7
Molecular Weight408.49 g/mol
Exact Mass408.26
IUPAC Name1,1,1,2,2,3,3-heptafluoroicosane
SMILESCCCCCCCCCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C20H35F7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(21,22)19(23,24)20(25,26)27/h2-17H2,1H3
InChIKeyMILQBEVAWUBARL-UHFFFAOYSA-N
XLogP9.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.49
LogP ≤ 59.08
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

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-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
9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16-hexadecafluorohexacosane
CID 89419205
1,1,1,2,2-pentafluorononadecane
CID 98452406
3,3,4,4,5,5,6,6-octafluorotridecane
CID 121404861
1,1,1,2,2,3,3,4,4-nonafluorooctane
CID 22002951
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluorotetradecane
CID 22002799
1,1,1,2,2-pentafluoro-3,3-dimethyldodecane
CID 151241914
1,1,1,2,2,3,3,4,4,5-decafluorododecan-5-ylphosphane
CID 22348772

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3-heptafluoroicosane?
The IUPAC name of 1,1,1,2,2,3,3-heptafluoroicosane (CID 98452405) is 1,1,1,2,2,3,3-heptafluoroicosane.
What is the SMILES notation for 1,1,1,2,2,3,3-heptafluoroicosane?
The canonical SMILES for 1,1,1,2,2,3,3-heptafluoroicosane is CCCCCCCCCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3-heptafluoroicosane?
The InChIKey is MILQBEVAWUBARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35F7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(21,22)19(23,24)20(25,26)27/h2-17H2,1H3.
What are the key properties of 1,1,1,2,2,3,3-heptafluoroicosane?
1,1,1,2,2,3,3-heptafluoroicosane has a molecular weight of 408.49 g/mol, XLogP of 9.08, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3-heptafluoroicosane is sourced from PubChem (CID 98452405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).