[9-(2-fluorooxyacetyl)fluoren-9-yl]methyl formate

C17H13FO4 — CID 175349023

IUPAC[9-(2-fluorooxyacetyl)fluoren-9-yl]methyl formate
SMILESO=COCC1(C(=O)COF)c2ccccc2-c2ccccc21
InChIInChI=1S/C17H13FO4/c18-22-9-16(20)17(10-21-11-19)14-7-3-1-5-12(14)13-6-2-4-8-15(13)17/h1-8,11H,9-10H2
InChIKeyJOWHIJHIOXMPLC-UHFFFAOYSA-N
MW300.28 g/mol
LogP2.60
Rot. Bonds6

About [9-(2-fluorooxyacetyl)fluoren-9-yl]methyl formate

[9-(2-fluorooxyacetyl)fluoren-9-yl]methyl formate (PubChem CID 175349023) has the molecular formula C17H13FO4 and a molecular weight of 300.28 g/mol. Its IUPAC name is [9-(2-fluorooxyacetyl)fluoren-9-yl]methyl formate.

Molecular Properties

Compound Name[9-(2-fluorooxyacetyl)fluoren-9-yl]methyl formate
PubChem CID175349023
Molecular FormulaC17H13FO4
Molecular Weight300.28 g/mol
Exact Mass300.08
IUPAC Name[9-(2-fluorooxyacetyl)fluoren-9-yl]methyl formate
SMILESO=COCC1(C(=O)COF)c2ccccc2-c2ccccc21
InChIInChI=1S/C17H13FO4/c18-22-9-16(20)17(10-21-11-19)14-7-3-1-5-12(14)13-6-2-4-8-15(13)17/h1-8,11H,9-10H2
InChIKeyJOWHIJHIOXMPLC-UHFFFAOYSA-N
XLogP2.60
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [9-(2-fluorooxyacetyl)fluoren-9-yl]methyl formate?
The IUPAC name of [9-(2-fluorooxyacetyl)fluoren-9-yl]methyl formate (CID 175349023) is [9-(2-fluorooxyacetyl)fluoren-9-yl]methyl formate.
What is the SMILES notation for [9-(2-fluorooxyacetyl)fluoren-9-yl]methyl formate?
The canonical SMILES for [9-(2-fluorooxyacetyl)fluoren-9-yl]methyl formate is O=COCC1(C(=O)COF)c2ccccc2-c2ccccc21.
What is the InChIKey of [9-(2-fluorooxyacetyl)fluoren-9-yl]methyl formate?
The InChIKey is JOWHIJHIOXMPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FO4/c18-22-9-16(20)17(10-21-11-19)14-7-3-1-5-12(14)13-6-2-4-8-15(13)17/h1-8,11H,9-10H2.
What are the key properties of [9-(2-fluorooxyacetyl)fluoren-9-yl]methyl formate?
[9-(2-fluorooxyacetyl)fluoren-9-yl]methyl formate has a molecular weight of 300.28 g/mol, XLogP of 2.60, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [9-(2-fluorooxyacetyl)fluoren-9-yl]methyl formate is sourced from PubChem (CID 175349023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).