2,2,3,3,4,4,5,5,5-nonafluoro-1-(4-fluoronaphthalen-1-yl)pentan-1-one

C15H6F10O — CID 146006980

IUPAC2,2,3,3,4,4,5,5,5-nonafluoro-1-(4-fluoronaphthalen-1-yl)pentan-1-one
SMILESO=C(c1ccc(F)c2ccccc12)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H6F10O/c16-10-6-5-9(7-3-1-2-4-8(7)10)11(26)12(17,18)13(19,20)14(21,22)15(23,24)25/h1-6H
InChIKeyXRVVQGJLFYTGOB-UHFFFAOYSA-N
MW392.19 g/mol
LogP5.63
Rot. Bonds4

About 2,2,3,3,4,4,5,5,5-nonafluoro-1-(4-fluoronaphthalen-1-yl)pentan-1-one

2,2,3,3,4,4,5,5,5-nonafluoro-1-(4-fluoronaphthalen-1-yl)pentan-1-one (PubChem CID 146006980) has the molecular formula C15H6F10O and a molecular weight of 392.19 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,5-nonafluoro-1-(4-fluoronaphthalen-1-yl)pentan-1-one.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,5-nonafluoro-1-(4-fluoronaphthalen-1-yl)pentan-1-one
PubChem CID146006980
Molecular FormulaC15H6F10O
Molecular Weight392.19 g/mol
Exact Mass392.03
IUPAC Name2,2,3,3,4,4,5,5,5-nonafluoro-1-(4-fluoronaphthalen-1-yl)pentan-1-one
SMILESO=C(c1ccc(F)c2ccccc12)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H6F10O/c16-10-6-5-9(7-3-1-2-4-8(7)10)11(26)12(17,18)13(19,20)14(21,22)15(23,24)25/h1-6H
InChIKeyXRVVQGJLFYTGOB-UHFFFAOYSA-N
XLogP5.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.19
LogP ≤ 55.63
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 2,2,3,3,4,4,5,5,5-nonafluoro-1-(4-fluoronaphthalen-1-yl)pentan-1-one?
The IUPAC name of 2,2,3,3,4,4,5,5,5-nonafluoro-1-(4-fluoronaphthalen-1-yl)pentan-1-one (CID 146006980) is 2,2,3,3,4,4,5,5,5-nonafluoro-1-(4-fluoronaphthalen-1-yl)pentan-1-one.
What is the SMILES notation for 2,2,3,3,4,4,5,5,5-nonafluoro-1-(4-fluoronaphthalen-1-yl)pentan-1-one?
The canonical SMILES for 2,2,3,3,4,4,5,5,5-nonafluoro-1-(4-fluoronaphthalen-1-yl)pentan-1-one is O=C(c1ccc(F)c2ccccc12)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5,5-nonafluoro-1-(4-fluoronaphthalen-1-yl)pentan-1-one?
The InChIKey is XRVVQGJLFYTGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H6F10O/c16-10-6-5-9(7-3-1-2-4-8(7)10)11(26)12(17,18)13(19,20)14(21,22)15(23,24)25/h1-6H.
What are the key properties of 2,2,3,3,4,4,5,5,5-nonafluoro-1-(4-fluoronaphthalen-1-yl)pentan-1-one?
2,2,3,3,4,4,5,5,5-nonafluoro-1-(4-fluoronaphthalen-1-yl)pentan-1-one has a molecular weight of 392.19 g/mol, XLogP of 5.63, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,5-nonafluoro-1-(4-fluoronaphthalen-1-yl)pentan-1-one is sourced from PubChem (CID 146006980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).