8-(2-chloro-6-fluorophenyl)naphthalene-2-carboxylic acid

C17H10ClFO2 — CID 58553601

IUPAC8-(2-chloro-6-fluorophenyl)naphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2cccc(-c3c(F)cccc3Cl)c2c1
InChIInChI=1S/C17H10ClFO2/c18-14-5-2-6-15(19)16(14)12-4-1-3-10-7-8-11(17(20)21)9-13(10)12/h1-9H,(H,20,21)
InChIKeyJTNPSQIASBOXCW-UHFFFAOYSA-N
MW300.72 g/mol
LogP5.00
Rot. Bonds2

About 8-(2-chloro-6-fluorophenyl)naphthalene-2-carboxylic acid

8-(2-chloro-6-fluorophenyl)naphthalene-2-carboxylic acid (PubChem CID 58553601) has the molecular formula C17H10ClFO2 and a molecular weight of 300.72 g/mol. Its IUPAC name is 8-(2-chloro-6-fluorophenyl)naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name8-(2-chloro-6-fluorophenyl)naphthalene-2-carboxylic acid
PubChem CID58553601
Molecular FormulaC17H10ClFO2
Molecular Weight300.72 g/mol
Exact Mass300.04
IUPAC Name8-(2-chloro-6-fluorophenyl)naphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2cccc(-c3c(F)cccc3Cl)c2c1
InChIInChI=1S/C17H10ClFO2/c18-14-5-2-6-15(19)16(14)12-4-1-3-10-7-8-11(17(20)21)9-13(10)12/h1-9H,(H,20,21)
InChIKeyJTNPSQIASBOXCW-UHFFFAOYSA-N
XLogP5.00
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.72
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-(2-chloro-6-fluorophenyl)naphthalene-2-carboxylic acid?
The IUPAC name of 8-(2-chloro-6-fluorophenyl)naphthalene-2-carboxylic acid (CID 58553601) is 8-(2-chloro-6-fluorophenyl)naphthalene-2-carboxylic acid.
What is the SMILES notation for 8-(2-chloro-6-fluorophenyl)naphthalene-2-carboxylic acid?
The canonical SMILES for 8-(2-chloro-6-fluorophenyl)naphthalene-2-carboxylic acid is O=C(O)c1ccc2cccc(-c3c(F)cccc3Cl)c2c1.
What is the InChIKey of 8-(2-chloro-6-fluorophenyl)naphthalene-2-carboxylic acid?
The InChIKey is JTNPSQIASBOXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClFO2/c18-14-5-2-6-15(19)16(14)12-4-1-3-10-7-8-11(17(20)21)9-13(10)12/h1-9H,(H,20,21).
What are the key properties of 8-(2-chloro-6-fluorophenyl)naphthalene-2-carboxylic acid?
8-(2-chloro-6-fluorophenyl)naphthalene-2-carboxylic acid has a molecular weight of 300.72 g/mol, XLogP of 5.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-chloro-6-fluorophenyl)naphthalene-2-carboxylic acid is sourced from PubChem (CID 58553601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).