(2-fluorophenyl)methyl 9-oxofluorene-3-carboxylate

C21H13FO3 — CID 1262921

IUPAC(2-fluorophenyl)methyl 9-oxofluorene-3-carboxylate
SMILESO=C(OCc1ccccc1F)c1ccc2c(c1)-c1ccccc1C2=O
InChIInChI=1S/C21H13FO3/c22-19-8-4-1-5-14(19)12-25-21(24)13-9-10-17-18(11-13)15-6-2-3-7-16(15)20(17)23/h1-11H,12H2
InChIKeyQAKLIUVNZBVXFI-UHFFFAOYSA-N
MW332.33 g/mol
LogP4.39
Rot. Bonds3

About (2-fluorophenyl)methyl 9-oxofluorene-3-carboxylate

(2-fluorophenyl)methyl 9-oxofluorene-3-carboxylate (PubChem CID 1262921) has the molecular formula C21H13FO3 and a molecular weight of 332.33 g/mol. Its IUPAC name is (2-fluorophenyl)methyl 9-oxofluorene-3-carboxylate.

Molecular Properties

Compound Name(2-fluorophenyl)methyl 9-oxofluorene-3-carboxylate
PubChem CID1262921
Molecular FormulaC21H13FO3
Molecular Weight332.33 g/mol
Exact Mass332.08
IUPAC Name(2-fluorophenyl)methyl 9-oxofluorene-3-carboxylate
SMILESO=C(OCc1ccccc1F)c1ccc2c(c1)-c1ccccc1C2=O
InChIInChI=1S/C21H13FO3/c22-19-8-4-1-5-14(19)12-25-21(24)13-9-10-17-18(11-13)15-6-2-3-7-16(15)20(17)23/h1-11H,12H2
InChIKeyQAKLIUVNZBVXFI-UHFFFAOYSA-N
XLogP4.39
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)methyl 9-oxofluorene-3-carboxylate?
The IUPAC name of (2-fluorophenyl)methyl 9-oxofluorene-3-carboxylate (CID 1262921) is (2-fluorophenyl)methyl 9-oxofluorene-3-carboxylate.
What is the SMILES notation for (2-fluorophenyl)methyl 9-oxofluorene-3-carboxylate?
The canonical SMILES for (2-fluorophenyl)methyl 9-oxofluorene-3-carboxylate is O=C(OCc1ccccc1F)c1ccc2c(c1)-c1ccccc1C2=O.
What is the InChIKey of (2-fluorophenyl)methyl 9-oxofluorene-3-carboxylate?
The InChIKey is QAKLIUVNZBVXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13FO3/c22-19-8-4-1-5-14(19)12-25-21(24)13-9-10-17-18(11-13)15-6-2-3-7-16(15)20(17)23/h1-11H,12H2.
What are the key properties of (2-fluorophenyl)methyl 9-oxofluorene-3-carboxylate?
(2-fluorophenyl)methyl 9-oxofluorene-3-carboxylate has a molecular weight of 332.33 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)methyl 9-oxofluorene-3-carboxylate is sourced from PubChem (CID 1262921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).