[1-(2,2,3,3,3-pentafluoropropanoyl)indol-5-yl] 2,2,3,3,3-pentafluoropropanoate

C14H5F10NO3 — CID 91741838

IUPAC[1-(2,2,3,3,3-pentafluoropropanoyl)indol-5-yl] 2,2,3,3,3-pentafluoropropanoate
SMILESO=C(Oc1ccc2c(ccn2C(=O)C(F)(F)C(F)(F)F)c1)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H5F10NO3/c15-11(16,13(19,20)21)9(26)25-4-3-6-5-7(1-2-8(6)25)28-10(27)12(17,18)14(22,23)24/h1-5H
InChIKeyKPBXVTIYCAQLSU-UHFFFAOYSA-N
MW425.18 g/mol
LogP4.58
Rot. Bonds3

About [1-(2,2,3,3,3-pentafluoropropanoyl)indol-5-yl] 2,2,3,3,3-pentafluoropropanoate

[1-(2,2,3,3,3-pentafluoropropanoyl)indol-5-yl] 2,2,3,3,3-pentafluoropropanoate (PubChem CID 91741838) has the molecular formula C14H5F10NO3 and a molecular weight of 425.18 g/mol. Its IUPAC name is [1-(2,2,3,3,3-pentafluoropropanoyl)indol-5-yl] 2,2,3,3,3-pentafluoropropanoate.

Molecular Properties

Compound Name[1-(2,2,3,3,3-pentafluoropropanoyl)indol-5-yl] 2,2,3,3,3-pentafluoropropanoate
PubChem CID91741838
Molecular FormulaC14H5F10NO3
Molecular Weight425.18 g/mol
Exact Mass425.01
IUPAC Name[1-(2,2,3,3,3-pentafluoropropanoyl)indol-5-yl] 2,2,3,3,3-pentafluoropropanoate
SMILESO=C(Oc1ccc2c(ccn2C(=O)C(F)(F)C(F)(F)F)c1)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H5F10NO3/c15-11(16,13(19,20)21)9(26)25-4-3-6-5-7(1-2-8(6)25)28-10(27)12(17,18)14(22,23)24/h1-5H
InChIKeyKPBXVTIYCAQLSU-UHFFFAOYSA-N
XLogP4.58
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.18
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(2,2,3,3,3-pentafluoropropanoyl)indol-5-yl] 2,2,3,3,3-pentafluoropropanoate?
The IUPAC name of [1-(2,2,3,3,3-pentafluoropropanoyl)indol-5-yl] 2,2,3,3,3-pentafluoropropanoate (CID 91741838) is [1-(2,2,3,3,3-pentafluoropropanoyl)indol-5-yl] 2,2,3,3,3-pentafluoropropanoate.
What is the SMILES notation for [1-(2,2,3,3,3-pentafluoropropanoyl)indol-5-yl] 2,2,3,3,3-pentafluoropropanoate?
The canonical SMILES for [1-(2,2,3,3,3-pentafluoropropanoyl)indol-5-yl] 2,2,3,3,3-pentafluoropropanoate is O=C(Oc1ccc2c(ccn2C(=O)C(F)(F)C(F)(F)F)c1)C(F)(F)C(F)(F)F.
What is the InChIKey of [1-(2,2,3,3,3-pentafluoropropanoyl)indol-5-yl] 2,2,3,3,3-pentafluoropropanoate?
The InChIKey is KPBXVTIYCAQLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H5F10NO3/c15-11(16,13(19,20)21)9(26)25-4-3-6-5-7(1-2-8(6)25)28-10(27)12(17,18)14(22,23)24/h1-5H.
What are the key properties of [1-(2,2,3,3,3-pentafluoropropanoyl)indol-5-yl] 2,2,3,3,3-pentafluoropropanoate?
[1-(2,2,3,3,3-pentafluoropropanoyl)indol-5-yl] 2,2,3,3,3-pentafluoropropanoate has a molecular weight of 425.18 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2,3,3,3-pentafluoropropanoyl)indol-5-yl] 2,2,3,3,3-pentafluoropropanoate is sourced from PubChem (CID 91741838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).