7,7,8,8-tetrafluoro-1-(7,7,8,8-tetrafluorotetradecoxy)tetradecane

C28H50F8O — CID 87233229

IUPAC7,7,8,8-tetrafluoro-1-(7,7,8,8-tetrafluorotetradecoxy)tetradecane
SMILESCCCCCCC(F)(F)C(F)(F)CCCCCCOCCCCCCC(F)(F)C(F)(F)CCCCCC
InChIInChI=1S/C28H50F8O/c1-3-5-7-13-19-25(29,30)27(33,34)21-15-9-11-17-23-37-24-18-12-10-16-22-28(35,36)26(31,32)20-14-8-6-4-2/h3-24H2,1-2H3
InChIKeyPWXUDOYOCCTMGT-UHFFFAOYSA-N
MW554.69 g/mol
LogP11.39
Rot. Bonds26

About 7,7,8,8-tetrafluoro-1-(7,7,8,8-tetrafluorotetradecoxy)tetradecane

7,7,8,8-tetrafluoro-1-(7,7,8,8-tetrafluorotetradecoxy)tetradecane (PubChem CID 87233229) has the molecular formula C28H50F8O and a molecular weight of 554.69 g/mol. Its IUPAC name is 7,7,8,8-tetrafluoro-1-(7,7,8,8-tetrafluorotetradecoxy)tetradecane.

Molecular Properties

Compound Name7,7,8,8-tetrafluoro-1-(7,7,8,8-tetrafluorotetradecoxy)tetradecane
PubChem CID87233229
Molecular FormulaC28H50F8O
Molecular Weight554.69 g/mol
Exact Mass554.37
IUPAC Name7,7,8,8-tetrafluoro-1-(7,7,8,8-tetrafluorotetradecoxy)tetradecane
SMILESCCCCCCC(F)(F)C(F)(F)CCCCCCOCCCCCCC(F)(F)C(F)(F)CCCCCC
InChIInChI=1S/C28H50F8O/c1-3-5-7-13-19-25(29,30)27(33,34)21-15-9-11-17-23-37-24-18-12-10-16-22-28(35,36)26(31,32)20-14-8-6-4-2/h3-24H2,1-2H3
InChIKeyPWXUDOYOCCTMGT-UHFFFAOYSA-N
XLogP11.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds26
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.69
LogP ≤ 511.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7,7,8,8-tetrafluoro-1-(7,7,8,8-tetrafluorotetradecoxy)tetradecane?
The IUPAC name of 7,7,8,8-tetrafluoro-1-(7,7,8,8-tetrafluorotetradecoxy)tetradecane (CID 87233229) is 7,7,8,8-tetrafluoro-1-(7,7,8,8-tetrafluorotetradecoxy)tetradecane.
What is the SMILES notation for 7,7,8,8-tetrafluoro-1-(7,7,8,8-tetrafluorotetradecoxy)tetradecane?
The canonical SMILES for 7,7,8,8-tetrafluoro-1-(7,7,8,8-tetrafluorotetradecoxy)tetradecane is CCCCCCC(F)(F)C(F)(F)CCCCCCOCCCCCCC(F)(F)C(F)(F)CCCCCC.
What is the InChIKey of 7,7,8,8-tetrafluoro-1-(7,7,8,8-tetrafluorotetradecoxy)tetradecane?
The InChIKey is PWXUDOYOCCTMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H50F8O/c1-3-5-7-13-19-25(29,30)27(33,34)21-15-9-11-17-23-37-24-18-12-10-16-22-28(35,36)26(31,32)20-14-8-6-4-2/h3-24H2,1-2H3.
What are the key properties of 7,7,8,8-tetrafluoro-1-(7,7,8,8-tetrafluorotetradecoxy)tetradecane?
7,7,8,8-tetrafluoro-1-(7,7,8,8-tetrafluorotetradecoxy)tetradecane has a molecular weight of 554.69 g/mol, XLogP of 11.39, 26 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,8,8-tetrafluoro-1-(7,7,8,8-tetrafluorotetradecoxy)tetradecane is sourced from PubChem (CID 87233229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).