1-(7,7,8,8-tetrafluorononoxy)dodecane

C21H40F4O — CID 59503911

IUPAC1-(7,7,8,8-tetrafluorononoxy)dodecane
SMILESCCCCCCCCCCCCOCCCCCCC(F)(F)C(C)(F)F
InChIInChI=1S/C21H40F4O/c1-3-4-5-6-7-8-9-10-12-15-18-26-19-16-13-11-14-17-21(24,25)20(2,22)23/h3-19H2,1-2H3
InChIKeyJJXPNNPVOCPULC-UHFFFAOYSA-N
MW384.54 g/mol
LogP8.16
Rot. Bonds19

About 1-(7,7,8,8-tetrafluorononoxy)dodecane

1-(7,7,8,8-tetrafluorononoxy)dodecane (PubChem CID 59503911) has the molecular formula C21H40F4O and a molecular weight of 384.54 g/mol. Its IUPAC name is 1-(7,7,8,8-tetrafluorononoxy)dodecane.

Molecular Properties

Compound Name1-(7,7,8,8-tetrafluorononoxy)dodecane
PubChem CID59503911
Molecular FormulaC21H40F4O
Molecular Weight384.54 g/mol
Exact Mass384.30
IUPAC Name1-(7,7,8,8-tetrafluorononoxy)dodecane
SMILESCCCCCCCCCCCCOCCCCCCC(F)(F)C(C)(F)F
InChIInChI=1S/C21H40F4O/c1-3-4-5-6-7-8-9-10-12-15-18-26-19-16-13-11-14-17-21(24,25)20(2,22)23/h3-19H2,1-2H3
InChIKeyJJXPNNPVOCPULC-UHFFFAOYSA-N
XLogP8.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.54
LogP ≤ 58.16
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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Related Compounds

CID 87277037
CID 87277037
CID 11828643
CID 11828643
CID 44480567
CID 44480567
CID 44480568
CID 44480568
CID 35451
CID 35451
CID 11031559
CID 11031559
CID 14400535
CID 14400535
CID 15006624
CID 15006624
CID 19598606
CID 19598606
CID 86009221
CID 86009221
CID 101034469
CID 101034469
CID 129776416
CID 129776416

Frequently Asked Questions

What is the IUPAC name of 1-(7,7,8,8-tetrafluorononoxy)dodecane?
The IUPAC name of 1-(7,7,8,8-tetrafluorononoxy)dodecane (CID 59503911) is 1-(7,7,8,8-tetrafluorononoxy)dodecane.
What is the SMILES notation for 1-(7,7,8,8-tetrafluorononoxy)dodecane?
The canonical SMILES for 1-(7,7,8,8-tetrafluorononoxy)dodecane is CCCCCCCCCCCCOCCCCCCC(F)(F)C(C)(F)F.
What is the InChIKey of 1-(7,7,8,8-tetrafluorononoxy)dodecane?
The InChIKey is JJXPNNPVOCPULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40F4O/c1-3-4-5-6-7-8-9-10-12-15-18-26-19-16-13-11-14-17-21(24,25)20(2,22)23/h3-19H2,1-2H3.
What are the key properties of 1-(7,7,8,8-tetrafluorononoxy)dodecane?
1-(7,7,8,8-tetrafluorononoxy)dodecane has a molecular weight of 384.54 g/mol, XLogP of 8.16, 19 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7,7,8,8-tetrafluorononoxy)dodecane is sourced from PubChem (CID 59503911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).