1-(9H-fluoren-9-yl)ethyl acetate

C17H16O2 — CID 540010

IUPAC1-(9H-fluoren-9-yl)ethyl acetate
SMILESCC(=O)OC(C)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C17H16O2/c1-11(19-12(2)18)17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-11,17H,1-2H3
InChIKeyHFLNWZBJRMMINZ-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.75
Rot. Bonds2

About 1-(9H-fluoren-9-yl)ethyl acetate

1-(9H-fluoren-9-yl)ethyl acetate (PubChem CID 540010) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-(9H-fluoren-9-yl)ethyl acetate.

Molecular Properties

Compound Name1-(9H-fluoren-9-yl)ethyl acetate
PubChem CID540010
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name1-(9H-fluoren-9-yl)ethyl acetate
SMILESCC(=O)OC(C)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C17H16O2/c1-11(19-12(2)18)17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-11,17H,1-2H3
InChIKeyHFLNWZBJRMMINZ-UHFFFAOYSA-N
XLogP3.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(9H-fluoren-9-yl)ethyl acetate?
The IUPAC name of 1-(9H-fluoren-9-yl)ethyl acetate (CID 540010) is 1-(9H-fluoren-9-yl)ethyl acetate.
What is the SMILES notation for 1-(9H-fluoren-9-yl)ethyl acetate?
The canonical SMILES for 1-(9H-fluoren-9-yl)ethyl acetate is CC(=O)OC(C)C1c2ccccc2-c2ccccc21.
What is the InChIKey of 1-(9H-fluoren-9-yl)ethyl acetate?
The InChIKey is HFLNWZBJRMMINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c1-11(19-12(2)18)17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-11,17H,1-2H3.
What are the key properties of 1-(9H-fluoren-9-yl)ethyl acetate?
1-(9H-fluoren-9-yl)ethyl acetate has a molecular weight of 252.31 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9H-fluoren-9-yl)ethyl acetate is sourced from PubChem (CID 540010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).