6,6,7,8,8-pentafluoro-7-hydroperoxytetradecane

C14H25F5O2 — CID 166650292

IUPAC6,6,7,8,8-pentafluoro-7-hydroperoxytetradecane
SMILESCCCCCCC(F)(F)C(F)(OO)C(F)(F)CCCCC
InChIInChI=1S/C14H25F5O2/c1-3-5-7-9-11-13(17,18)14(19,21-20)12(15,16)10-8-6-4-2/h20H,3-11H2,1-2H3
InChIKeyBZQGJOGUVVMDHN-UHFFFAOYSA-N
MW320.34 g/mol
LogP5.96
Rot. Bonds12

About 6,6,7,8,8-pentafluoro-7-hydroperoxytetradecane

6,6,7,8,8-pentafluoro-7-hydroperoxytetradecane (PubChem CID 166650292) has the molecular formula C14H25F5O2 and a molecular weight of 320.34 g/mol. Its IUPAC name is 6,6,7,8,8-pentafluoro-7-hydroperoxytetradecane.

Molecular Properties

Compound Name6,6,7,8,8-pentafluoro-7-hydroperoxytetradecane
PubChem CID166650292
Molecular FormulaC14H25F5O2
Molecular Weight320.34 g/mol
Exact Mass320.18
IUPAC Name6,6,7,8,8-pentafluoro-7-hydroperoxytetradecane
SMILESCCCCCCC(F)(F)C(F)(OO)C(F)(F)CCCCC
InChIInChI=1S/C14H25F5O2/c1-3-5-7-9-11-13(17,18)14(19,21-20)12(15,16)10-8-6-4-2/h20H,3-11H2,1-2H3
InChIKeyBZQGJOGUVVMDHN-UHFFFAOYSA-N
XLogP5.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.34
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

1,1,1,2,2-pentafluorononadecane
CID 98452406
9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16-hexadecafluorohexacosane
CID 89419205
2-hydroperoxy-2-methyltridecane
CID 140639786
2-hydroperoxy-2-methylnonane
CID 15188455
1,1,1,2,2,3,3-heptafluoroicosane
CID 98452405
trichloro(1,1,2,2-tetrafluorooctyl)silane
CID 102098431
9-fluoropentacosan-9-ol
CID 139794548
5-fluoro-5-methoxyhexadecane
CID 176907960
3-ethyl-3-hydroperoxytridecane
CID 140733477
3,3,4,4,5,5,6,6-octafluorotridecane
CID 121404861
1,1,2,3,3,4,4-heptafluorododec-1-ene
CID 154155860
methyl 2,2-difluoroheptadecanoate
CID 150501536

Frequently Asked Questions

What is the IUPAC name of 6,6,7,8,8-pentafluoro-7-hydroperoxytetradecane?
The IUPAC name of 6,6,7,8,8-pentafluoro-7-hydroperoxytetradecane (CID 166650292) is 6,6,7,8,8-pentafluoro-7-hydroperoxytetradecane.
What is the SMILES notation for 6,6,7,8,8-pentafluoro-7-hydroperoxytetradecane?
The canonical SMILES for 6,6,7,8,8-pentafluoro-7-hydroperoxytetradecane is CCCCCCC(F)(F)C(F)(OO)C(F)(F)CCCCC.
What is the InChIKey of 6,6,7,8,8-pentafluoro-7-hydroperoxytetradecane?
The InChIKey is BZQGJOGUVVMDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F5O2/c1-3-5-7-9-11-13(17,18)14(19,21-20)12(15,16)10-8-6-4-2/h20H,3-11H2,1-2H3.
What are the key properties of 6,6,7,8,8-pentafluoro-7-hydroperoxytetradecane?
6,6,7,8,8-pentafluoro-7-hydroperoxytetradecane has a molecular weight of 320.34 g/mol, XLogP of 5.96, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,7,8,8-pentafluoro-7-hydroperoxytetradecane is sourced from PubChem (CID 166650292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).