2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)chromen-4-one

C14H5F11O2 — CID 101452611

IUPAC2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)chromen-4-one
SMILESO=c1cc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)oc2ccccc12
InChIInChI=1S/C14H5F11O2/c15-10(16,9-5-7(26)6-3-1-2-4-8(6)27-9)11(17,18)12(19,20)13(21,22)14(23,24)25/h1-5H
InChIKeySUBFLVBFXTXMTH-UHFFFAOYSA-N
MW414.17 g/mol
LogP5.35
Rot. Bonds4

About 2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)chromen-4-one

2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)chromen-4-one (PubChem CID 101452611) has the molecular formula C14H5F11O2 and a molecular weight of 414.17 g/mol. Its IUPAC name is 2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)chromen-4-one.

Molecular Properties

Compound Name2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)chromen-4-one
PubChem CID101452611
Molecular FormulaC14H5F11O2
Molecular Weight414.17 g/mol
Exact Mass414.01
IUPAC Name2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)chromen-4-one
SMILESO=c1cc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)oc2ccccc12
InChIInChI=1S/C14H5F11O2/c15-10(16,9-5-7(26)6-3-1-2-4-8(6)27-9)11(17,18)12(19,20)13(21,22)14(23,24)25/h1-5H
InChIKeySUBFLVBFXTXMTH-UHFFFAOYSA-N
XLogP5.35
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.17
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)chromen-4-one?
The IUPAC name of 2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)chromen-4-one (CID 101452611) is 2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)chromen-4-one.
What is the SMILES notation for 2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)chromen-4-one?
The canonical SMILES for 2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)chromen-4-one is O=c1cc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)oc2ccccc12.
What is the InChIKey of 2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)chromen-4-one?
The InChIKey is SUBFLVBFXTXMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H5F11O2/c15-10(16,9-5-7(26)6-3-1-2-4-8(6)27-9)11(17,18)12(19,20)13(21,22)14(23,24)25/h1-5H.
What are the key properties of 2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)chromen-4-one?
2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)chromen-4-one has a molecular weight of 414.17 g/mol, XLogP of 5.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)chromen-4-one is sourced from PubChem (CID 101452611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).