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

C20H37F5O — CID 122503667

IUPAC1-(7,7,8,8,8-pentafluorooctoxy)dodecane
SMILESCCCCCCCCCCCCOCCCCCCC(F)(F)C(F)(F)F
InChIInChI=1S/C20H37F5O/c1-2-3-4-5-6-7-8-9-11-14-17-26-18-15-12-10-13-16-19(21,22)20(23,24)25/h2-18H2,1H3
InChIKeyDFMIZDSWNGENQS-UHFFFAOYSA-N
MW388.51 g/mol
LogP8.07
Rot. Bonds18

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

1-(7,7,8,8,8-pentafluorooctoxy)dodecane (PubChem CID 122503667) has the molecular formula C20H37F5O and a molecular weight of 388.51 g/mol. Its IUPAC name is 1-(7,7,8,8,8-pentafluorooctoxy)dodecane.

Molecular Properties

Compound Name1-(7,7,8,8,8-pentafluorooctoxy)dodecane
PubChem CID122503667
Molecular FormulaC20H37F5O
Molecular Weight388.51 g/mol
Exact Mass388.28
IUPAC Name1-(7,7,8,8,8-pentafluorooctoxy)dodecane
SMILESCCCCCCCCCCCCOCCCCCCC(F)(F)C(F)(F)F
InChIInChI=1S/C20H37F5O/c1-2-3-4-5-6-7-8-9-11-14-17-26-18-15-12-10-13-16-19(21,22)20(23,24)25/h2-18H2,1H3
InChIKeyDFMIZDSWNGENQS-UHFFFAOYSA-N
XLogP8.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.51
LogP ≤ 58.07
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

1,1,1,2,2-pentafluoro-16-propoxyhexadecane
CID 126561771
1,1,1,2,2-pentafluorononadecane
CID 98452406
18-(3,3-dimethylbutoxy)-1,1,1,2,2-pentafluorooctadecane
CID 162423589
1-(4,4,4-trifluorobutoxy)heptane
CID 54323453
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluoro-12-octoxydodecane
CID 18787826
1,1,1-trifluoro-4-pentoxy-2,2-bis(trifluoromethyl)butane
CID 172565145
1,1,1,2,2-pentafluoro-8-iodooctane;1,1,1,2,2-pentafluorononane
CID 90829003
1-dodecoxyhexadecane
CID 22256973
1-decoxydocosane
CID 87077677
1-(7-tetradecoxyheptoxy)tetradecane
CID 139884729
1-hexacosoxyhexacosane
CID 56611156
1-heptacosoxyheptacosane
CID 57287180

Frequently Asked Questions

What is the IUPAC name of 1-(7,7,8,8,8-pentafluorooctoxy)dodecane?
The IUPAC name of 1-(7,7,8,8,8-pentafluorooctoxy)dodecane (CID 122503667) is 1-(7,7,8,8,8-pentafluorooctoxy)dodecane.
What is the SMILES notation for 1-(7,7,8,8,8-pentafluorooctoxy)dodecane?
The canonical SMILES for 1-(7,7,8,8,8-pentafluorooctoxy)dodecane is CCCCCCCCCCCCOCCCCCCC(F)(F)C(F)(F)F.
What is the InChIKey of 1-(7,7,8,8,8-pentafluorooctoxy)dodecane?
The InChIKey is DFMIZDSWNGENQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37F5O/c1-2-3-4-5-6-7-8-9-11-14-17-26-18-15-12-10-13-16-19(21,22)20(23,24)25/h2-18H2,1H3.
What are the key properties of 1-(7,7,8,8,8-pentafluorooctoxy)dodecane?
1-(7,7,8,8,8-pentafluorooctoxy)dodecane has a molecular weight of 388.51 g/mol, XLogP of 8.07, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7,7,8,8,8-pentafluorooctoxy)dodecane is sourced from PubChem (CID 122503667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).