5-fluoro-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid

C11H11FO2 — CID 83685405

IUPAC5-fluoro-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
SMILESO=C(O)C1CCCc2c(F)cccc21
InChIInChI=1S/C11H11FO2/c12-10-6-2-3-7-8(10)4-1-5-9(7)11(13)14/h2-3,6,9H,1,4-5H2,(H,13,14)
InChIKeyXLEQFZSIPODDDO-UHFFFAOYSA-N
MW194.21 g/mol
LogP2.33
Rot. Bonds1

About 5-fluoro-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid

5-fluoro-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid (PubChem CID 83685405) has the molecular formula C11H11FO2 and a molecular weight of 194.21 g/mol. Its IUPAC name is 5-fluoro-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
PubChem CID83685405
Molecular FormulaC11H11FO2
Molecular Weight194.21 g/mol
Exact Mass194.07
IUPAC Name5-fluoro-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
SMILESO=C(O)C1CCCc2c(F)cccc21
InChIInChI=1S/C11H11FO2/c12-10-6-2-3-7-8(10)4-1-5-9(7)11(13)14/h2-3,6,9H,1,4-5H2,(H,13,14)
InChIKeyXLEQFZSIPODDDO-UHFFFAOYSA-N
XLogP2.33
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid?
The IUPAC name of 5-fluoro-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid (CID 83685405) is 5-fluoro-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid.
What is the SMILES notation for 5-fluoro-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid?
The canonical SMILES for 5-fluoro-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid is O=C(O)C1CCCc2c(F)cccc21.
What is the InChIKey of 5-fluoro-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid?
The InChIKey is XLEQFZSIPODDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO2/c12-10-6-2-3-7-8(10)4-1-5-9(7)11(13)14/h2-3,6,9H,1,4-5H2,(H,13,14).
What are the key properties of 5-fluoro-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid?
5-fluoro-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid has a molecular weight of 194.21 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid is sourced from PubChem (CID 83685405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).