2,2,3,3,4,4,5-heptafluoro-5-methoxyhexane

C7H9F7O — CID 146607260

IUPAC2,2,3,3,4,4,5-heptafluoro-5-methoxyhexane
SMILESCOC(C)(F)C(F)(F)C(F)(F)C(C)(F)F
InChIInChI=1S/C7H9F7O/c1-4(8,9)6(11,12)7(13,14)5(2,10)15-3/h1-3H3
InChIKeyDOPHMPXNTILEEL-UHFFFAOYSA-N
MW242.13 g/mol
LogP3.24
Rot. Bonds4

About 2,2,3,3,4,4,5-heptafluoro-5-methoxyhexane

2,2,3,3,4,4,5-heptafluoro-5-methoxyhexane (PubChem CID 146607260) has the molecular formula C7H9F7O and a molecular weight of 242.13 g/mol. Its IUPAC name is 2,2,3,3,4,4,5-heptafluoro-5-methoxyhexane.

Molecular Properties

Compound Name2,2,3,3,4,4,5-heptafluoro-5-methoxyhexane
PubChem CID146607260
Molecular FormulaC7H9F7O
Molecular Weight242.13 g/mol
Exact Mass242.05
IUPAC Name2,2,3,3,4,4,5-heptafluoro-5-methoxyhexane
SMILESCOC(C)(F)C(F)(F)C(F)(F)C(C)(F)F
InChIInChI=1S/C7H9F7O/c1-4(8,9)6(11,12)7(13,14)5(2,10)15-3/h1-3H3
InChIKeyDOPHMPXNTILEEL-UHFFFAOYSA-N
XLogP3.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.13
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5-heptafluoro-5-methoxyhexane?
The IUPAC name of 2,2,3,3,4,4,5-heptafluoro-5-methoxyhexane (CID 146607260) is 2,2,3,3,4,4,5-heptafluoro-5-methoxyhexane.
What is the SMILES notation for 2,2,3,3,4,4,5-heptafluoro-5-methoxyhexane?
The canonical SMILES for 2,2,3,3,4,4,5-heptafluoro-5-methoxyhexane is COC(C)(F)C(F)(F)C(F)(F)C(C)(F)F.
What is the InChIKey of 2,2,3,3,4,4,5-heptafluoro-5-methoxyhexane?
The InChIKey is DOPHMPXNTILEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F7O/c1-4(8,9)6(11,12)7(13,14)5(2,10)15-3/h1-3H3.
What are the key properties of 2,2,3,3,4,4,5-heptafluoro-5-methoxyhexane?
2,2,3,3,4,4,5-heptafluoro-5-methoxyhexane has a molecular weight of 242.13 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5-heptafluoro-5-methoxyhexane is sourced from PubChem (CID 146607260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).