9H-fluoren-9-yl 2-(2,6-dichlorophenyl)acetate

C21H14Cl2O2 — CID 2097012

IUPAC9H-fluoren-9-yl 2-(2,6-dichlorophenyl)acetate
SMILESO=C(Cc1c(Cl)cccc1Cl)OC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H14Cl2O2/c22-18-10-5-11-19(23)17(18)12-20(24)25-21-15-8-3-1-6-13(15)14-7-2-4-9-16(14)21/h1-11,21H,12H2
InChIKeySJKUTVKZZKMLIM-UHFFFAOYSA-N
MW369.25 g/mol
LogP5.85
Rot. Bonds3

About 9H-fluoren-9-yl 2-(2,6-dichlorophenyl)acetate

9H-fluoren-9-yl 2-(2,6-dichlorophenyl)acetate (PubChem CID 2097012) has the molecular formula C21H14Cl2O2 and a molecular weight of 369.25 g/mol. Its IUPAC name is 9H-fluoren-9-yl 2-(2,6-dichlorophenyl)acetate.

Molecular Properties

Compound Name9H-fluoren-9-yl 2-(2,6-dichlorophenyl)acetate
PubChem CID2097012
Molecular FormulaC21H14Cl2O2
Molecular Weight369.25 g/mol
Exact Mass368.04
IUPAC Name9H-fluoren-9-yl 2-(2,6-dichlorophenyl)acetate
SMILESO=C(Cc1c(Cl)cccc1Cl)OC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H14Cl2O2/c22-18-10-5-11-19(23)17(18)12-20(24)25-21-15-8-3-1-6-13(15)14-7-2-4-9-16(14)21/h1-11,21H,12H2
InChIKeySJKUTVKZZKMLIM-UHFFFAOYSA-N
XLogP5.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.25
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-yl 2-(2,6-dichlorophenyl)acetate?
The IUPAC name of 9H-fluoren-9-yl 2-(2,6-dichlorophenyl)acetate (CID 2097012) is 9H-fluoren-9-yl 2-(2,6-dichlorophenyl)acetate.
What is the SMILES notation for 9H-fluoren-9-yl 2-(2,6-dichlorophenyl)acetate?
The canonical SMILES for 9H-fluoren-9-yl 2-(2,6-dichlorophenyl)acetate is O=C(Cc1c(Cl)cccc1Cl)OC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-yl 2-(2,6-dichlorophenyl)acetate?
The InChIKey is SJKUTVKZZKMLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl2O2/c22-18-10-5-11-19(23)17(18)12-20(24)25-21-15-8-3-1-6-13(15)14-7-2-4-9-16(14)21/h1-11,21H,12H2.
What are the key properties of 9H-fluoren-9-yl 2-(2,6-dichlorophenyl)acetate?
9H-fluoren-9-yl 2-(2,6-dichlorophenyl)acetate has a molecular weight of 369.25 g/mol, XLogP of 5.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-yl 2-(2,6-dichlorophenyl)acetate is sourced from PubChem (CID 2097012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).