6-(2-fluoroethoxy)naphthalene-2-carboxylic acid

C13H11FO3 — CID 134093258

IUPAC6-(2-fluoroethoxy)naphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2cc(OCCF)ccc2c1
InChIInChI=1S/C13H11FO3/c14-5-6-17-12-4-3-9-7-11(13(15)16)2-1-10(9)8-12/h1-4,7-8H,5-6H2,(H,15,16)
InChIKeyARJBGCAVKQZAJY-UHFFFAOYSA-N
MW234.23 g/mol
LogP2.89
Rot. Bonds4

About 6-(2-fluoroethoxy)naphthalene-2-carboxylic acid

6-(2-fluoroethoxy)naphthalene-2-carboxylic acid (PubChem CID 134093258) has the molecular formula C13H11FO3 and a molecular weight of 234.23 g/mol. Its IUPAC name is 6-(2-fluoroethoxy)naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name6-(2-fluoroethoxy)naphthalene-2-carboxylic acid
PubChem CID134093258
Molecular FormulaC13H11FO3
Molecular Weight234.23 g/mol
Exact Mass234.07
IUPAC Name6-(2-fluoroethoxy)naphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2cc(OCCF)ccc2c1
InChIInChI=1S/C13H11FO3/c14-5-6-17-12-4-3-9-7-11(13(15)16)2-1-10(9)8-12/h1-4,7-8H,5-6H2,(H,15,16)
InChIKeyARJBGCAVKQZAJY-UHFFFAOYSA-N
XLogP2.89
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-octadecoxynaphthalene-2-carboxylic acid
CID 71245003
6-[4-(6-carboxynaphthalen-2-yl)oxybut-3-enoxy]naphthalene-2-carboxylic acid
CID 162690447
6-(6-prop-1-enoxyhexoxy)naphthalene-2-carboxylic acid
CID 150671699
6-chlorohexan-1-ol;6-(6-hydroxyhexoxy)naphthalene-2-carboxylic acid;6-hydroxynaphthalene-2-carboxylic acid;methanol
CID 161289374
bis(naphthalene-2,6-dicarboxylic acid);zirconium
CID 162353964
CID 67200510
CID 67200510
naphthalene-2,6-dicarboxylic acid;thorium
CID 175461115
7-phenylmethoxynaphthalene-2-carboxylic acid
CID 22243430
4-(4-hydroxybutoxy)benzoic acid
CID 15218596
2-bromo-4-(2-fluoroethoxy)benzoic acid
CID 87321445
4-(2-fluoroethoxy)-3-methylbenzoic acid
CID 107673859
ethene;naphthalene-2,6-dicarboxylic acid
CID 66988682

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoroethoxy)naphthalene-2-carboxylic acid?
The IUPAC name of 6-(2-fluoroethoxy)naphthalene-2-carboxylic acid (CID 134093258) is 6-(2-fluoroethoxy)naphthalene-2-carboxylic acid.
What is the SMILES notation for 6-(2-fluoroethoxy)naphthalene-2-carboxylic acid?
The canonical SMILES for 6-(2-fluoroethoxy)naphthalene-2-carboxylic acid is O=C(O)c1ccc2cc(OCCF)ccc2c1.
What is the InChIKey of 6-(2-fluoroethoxy)naphthalene-2-carboxylic acid?
The InChIKey is ARJBGCAVKQZAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FO3/c14-5-6-17-12-4-3-9-7-11(13(15)16)2-1-10(9)8-12/h1-4,7-8H,5-6H2,(H,15,16).
What are the key properties of 6-(2-fluoroethoxy)naphthalene-2-carboxylic acid?
6-(2-fluoroethoxy)naphthalene-2-carboxylic acid has a molecular weight of 234.23 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoroethoxy)naphthalene-2-carboxylic acid is sourced from PubChem (CID 134093258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).