9H-fluoren-9-yl 2,2-dimethylbutanoate

C19H20O2 — CID 58031020

IUPAC9H-fluoren-9-yl 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OC1c2ccccc2-c2ccccc21
InChIInChI=1S/C19H20O2/c1-4-19(2,3)18(20)21-17-15-11-7-5-9-13(15)14-10-6-8-12-16(14)17/h5-12,17H,4H2,1-3H3
InChIKeyFKYKQPUTORZCKL-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.74
Rot. Bonds3

About 9H-fluoren-9-yl 2,2-dimethylbutanoate

9H-fluoren-9-yl 2,2-dimethylbutanoate (PubChem CID 58031020) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 9H-fluoren-9-yl 2,2-dimethylbutanoate.

Molecular Properties

Compound Name9H-fluoren-9-yl 2,2-dimethylbutanoate
PubChem CID58031020
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name9H-fluoren-9-yl 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OC1c2ccccc2-c2ccccc21
InChIInChI=1S/C19H20O2/c1-4-19(2,3)18(20)21-17-15-11-7-5-9-13(15)14-10-6-8-12-16(14)17/h5-12,17H,4H2,1-3H3
InChIKeyFKYKQPUTORZCKL-UHFFFAOYSA-N
XLogP4.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.74
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-dimethylbutanoate?
The IUPAC name of 9H-fluoren-9-yl 2,2-dimethylbutanoate (CID 58031020) is 9H-fluoren-9-yl 2,2-dimethylbutanoate.
What is the SMILES notation for 9H-fluoren-9-yl 2,2-dimethylbutanoate?
The canonical SMILES for 9H-fluoren-9-yl 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-yl 2,2-dimethylbutanoate?
The InChIKey is FKYKQPUTORZCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2/c1-4-19(2,3)18(20)21-17-15-11-7-5-9-13(15)14-10-6-8-12-16(14)17/h5-12,17H,4H2,1-3H3.
What are the key properties of 9H-fluoren-9-yl 2,2-dimethylbutanoate?
9H-fluoren-9-yl 2,2-dimethylbutanoate has a molecular weight of 280.37 g/mol, XLogP of 4.74, 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-dimethylbutanoate is sourced from PubChem (CID 58031020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).