8-(2-chloro-4-fluorophenyl)naphthalene-2-carboxylic acid

C17H10ClFO2 — CID 58553471

IUPAC8-(2-chloro-4-fluorophenyl)naphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2cccc(-c3ccc(F)cc3Cl)c2c1
InChIInChI=1S/C17H10ClFO2/c18-16-9-12(19)6-7-14(16)13-3-1-2-10-4-5-11(17(20)21)8-15(10)13/h1-9H,(H,20,21)
InChIKeyROGPESHXQJDUBV-UHFFFAOYSA-N
MW300.72 g/mol
LogP5.00
Rot. Bonds2

About 8-(2-chloro-4-fluorophenyl)naphthalene-2-carboxylic acid

8-(2-chloro-4-fluorophenyl)naphthalene-2-carboxylic acid (PubChem CID 58553471) has the molecular formula C17H10ClFO2 and a molecular weight of 300.72 g/mol. Its IUPAC name is 8-(2-chloro-4-fluorophenyl)naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name8-(2-chloro-4-fluorophenyl)naphthalene-2-carboxylic acid
PubChem CID58553471
Molecular FormulaC17H10ClFO2
Molecular Weight300.72 g/mol
Exact Mass300.04
IUPAC Name8-(2-chloro-4-fluorophenyl)naphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2cccc(-c3ccc(F)cc3Cl)c2c1
InChIInChI=1S/C17H10ClFO2/c18-16-9-12(19)6-7-14(16)13-3-1-2-10-4-5-11(17(20)21)8-15(10)13/h1-9H,(H,20,21)
InChIKeyROGPESHXQJDUBV-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-4-fluorophenyl)naphthalene-2-carboxylic acid?
The IUPAC name of 8-(2-chloro-4-fluorophenyl)naphthalene-2-carboxylic acid (CID 58553471) is 8-(2-chloro-4-fluorophenyl)naphthalene-2-carboxylic acid.
What is the SMILES notation for 8-(2-chloro-4-fluorophenyl)naphthalene-2-carboxylic acid?
The canonical SMILES for 8-(2-chloro-4-fluorophenyl)naphthalene-2-carboxylic acid is O=C(O)c1ccc2cccc(-c3ccc(F)cc3Cl)c2c1.
What is the InChIKey of 8-(2-chloro-4-fluorophenyl)naphthalene-2-carboxylic acid?
The InChIKey is ROGPESHXQJDUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClFO2/c18-16-9-12(19)6-7-14(16)13-3-1-2-10-4-5-11(17(20)21)8-15(10)13/h1-9H,(H,20,21).
What are the key properties of 8-(2-chloro-4-fluorophenyl)naphthalene-2-carboxylic acid?
8-(2-chloro-4-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-4-fluorophenyl)naphthalene-2-carboxylic acid is sourced from PubChem (CID 58553471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).