1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-7-methoxyheptane

C8H3F15O — CID 23432505

IUPAC1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-7-methoxyheptane
SMILESCOC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H3F15O/c1-24-8(22,23)6(17,18)4(13,14)2(9,10)3(11,12)5(15,16)7(19,20)21/h1H3
InChIKeyRFPMOTJETISENI-UHFFFAOYSA-N
MW400.08 g/mol
LogP4.96
Rot. Bonds6

About 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-7-methoxyheptane

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-7-methoxyheptane (PubChem CID 23432505) has the molecular formula C8H3F15O and a molecular weight of 400.08 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-7-methoxyheptane.

Molecular Properties

Compound Name1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-7-methoxyheptane
PubChem CID23432505
Molecular FormulaC8H3F15O
Molecular Weight400.08 g/mol
Exact Mass399.99
IUPAC Name1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-7-methoxyheptane
SMILESCOC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H3F15O/c1-24-8(22,23)6(17,18)4(13,14)2(9,10)3(11,12)5(15,16)7(19,20)21/h1H3
InChIKeyRFPMOTJETISENI-UHFFFAOYSA-N
XLogP4.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.08
LogP ≤ 54.96
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 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-7-methoxyheptane?
The IUPAC name of 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-7-methoxyheptane (CID 23432505) is 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-7-methoxyheptane.
What is the SMILES notation for 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-7-methoxyheptane?
The canonical SMILES for 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-7-methoxyheptane is COC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-7-methoxyheptane?
The InChIKey is RFPMOTJETISENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F15O/c1-24-8(22,23)6(17,18)4(13,14)2(9,10)3(11,12)5(15,16)7(19,20)21/h1H3.
What are the key properties of 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-7-methoxyheptane?
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-7-methoxyheptane has a molecular weight of 400.08 g/mol, XLogP of 4.96, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-7-methoxyheptane is sourced from PubChem (CID 23432505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).