6-carboxy-5-fluoro-7,8-dihydronaphthalen-2-olate

C11H8FO3- — CID 54725702

IUPAC6-carboxy-5-fluoro-7,8-dihydronaphthalen-2-olate
SMILESO=C(O)C1=C(F)c2ccc([O-])cc2CC1
InChIInChI=1S/C11H9FO3/c12-10-8-4-2-7(13)5-6(8)1-3-9(10)11(14)15/h2,4-5,13H,1,3H2,(H,14,15)/p-1
InChIKeyQCYWVHPKXZNJGH-UHFFFAOYSA-M
MW207.18 g/mol
LogP1.47
Rot. Bonds1

About 6-carboxy-5-fluoro-7,8-dihydronaphthalen-2-olate

6-carboxy-5-fluoro-7,8-dihydronaphthalen-2-olate (PubChem CID 54725702) has the molecular formula C11H8FO3- and a molecular weight of 207.18 g/mol. Its IUPAC name is 6-carboxy-5-fluoro-7,8-dihydronaphthalen-2-olate.

Molecular Properties

Compound Name6-carboxy-5-fluoro-7,8-dihydronaphthalen-2-olate
PubChem CID54725702
Molecular FormulaC11H8FO3-
Molecular Weight207.18 g/mol
Exact Mass207.05
IUPAC Name6-carboxy-5-fluoro-7,8-dihydronaphthalen-2-olate
SMILESO=C(O)C1=C(F)c2ccc([O-])cc2CC1
InChIInChI=1S/C11H9FO3/c12-10-8-4-2-7(13)5-6(8)1-3-9(10)11(14)15/h2,4-5,13H,1,3H2,(H,14,15)/p-1
InChIKeyQCYWVHPKXZNJGH-UHFFFAOYSA-M
XLogP1.47
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.18
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-carboxy-5-fluoro-7,8-dihydronaphthalen-2-olate?
The IUPAC name of 6-carboxy-5-fluoro-7,8-dihydronaphthalen-2-olate (CID 54725702) is 6-carboxy-5-fluoro-7,8-dihydronaphthalen-2-olate.
What is the SMILES notation for 6-carboxy-5-fluoro-7,8-dihydronaphthalen-2-olate?
The canonical SMILES for 6-carboxy-5-fluoro-7,8-dihydronaphthalen-2-olate is O=C(O)C1=C(F)c2ccc([O-])cc2CC1.
What is the InChIKey of 6-carboxy-5-fluoro-7,8-dihydronaphthalen-2-olate?
The InChIKey is QCYWVHPKXZNJGH-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H9FO3/c12-10-8-4-2-7(13)5-6(8)1-3-9(10)11(14)15/h2,4-5,13H,1,3H2,(H,14,15)/p-1.
What are the key properties of 6-carboxy-5-fluoro-7,8-dihydronaphthalen-2-olate?
6-carboxy-5-fluoro-7,8-dihydronaphthalen-2-olate has a molecular weight of 207.18 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-carboxy-5-fluoro-7,8-dihydronaphthalen-2-olate is sourced from PubChem (CID 54725702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).