[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate

C19H16F2O4 — CID 58226328

IUPAC[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate
SMILESCC(F)(F)C(=O)OCC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C19H16F2O4/c1-19(20,21)18(23)25-11-17(22)24-10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,16H,10-11H2,1H3
InChIKeyKMDPLQHJLOKAPH-UHFFFAOYSA-N
MW346.33 g/mol
LogP3.54
Rot. Bonds5

About [2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate

[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate (PubChem CID 58226328) has the molecular formula C19H16F2O4 and a molecular weight of 346.33 g/mol. Its IUPAC name is [2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate.

Molecular Properties

Compound Name[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate
PubChem CID58226328
Molecular FormulaC19H16F2O4
Molecular Weight346.33 g/mol
Exact Mass346.10
IUPAC Name[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate
SMILESCC(F)(F)C(=O)OCC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C19H16F2O4/c1-19(20,21)18(23)25-11-17(22)24-10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,16H,10-11H2,1H3
InChIKeyKMDPLQHJLOKAPH-UHFFFAOYSA-N
XLogP3.54
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.33
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate?
The IUPAC name of [2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate (CID 58226328) is [2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate.
What is the SMILES notation for [2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate?
The canonical SMILES for [2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate is CC(F)(F)C(=O)OCC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of [2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate?
The InChIKey is KMDPLQHJLOKAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2O4/c1-19(20,21)18(23)25-11-17(22)24-10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,16H,10-11H2,1H3.
What are the key properties of [2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate?
[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate has a molecular weight of 346.33 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate is sourced from PubChem (CID 58226328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).