3-chloro-5-(2-fluorophenyl)benzoic acid

C13H8ClFO2 — CID 46314465

IUPAC3-chloro-5-(2-fluorophenyl)benzoic acid
SMILESO=C(O)c1cc(Cl)cc(-c2ccccc2F)c1
InChIInChI=1S/C13H8ClFO2/c14-10-6-8(5-9(7-10)13(16)17)11-3-1-2-4-12(11)15/h1-7H,(H,16,17)
InChIKeyNGYHHAYOHFBBSQ-UHFFFAOYSA-N
MW250.66 g/mol
LogP3.84
Rot. Bonds2

About 3-chloro-5-(2-fluorophenyl)benzoic acid

3-chloro-5-(2-fluorophenyl)benzoic acid (PubChem CID 46314465) has the molecular formula C13H8ClFO2 and a molecular weight of 250.66 g/mol. Its IUPAC name is 3-chloro-5-(2-fluorophenyl)benzoic acid.

Molecular Properties

Compound Name3-chloro-5-(2-fluorophenyl)benzoic acid
PubChem CID46314465
Molecular FormulaC13H8ClFO2
Molecular Weight250.66 g/mol
Exact Mass250.02
IUPAC Name3-chloro-5-(2-fluorophenyl)benzoic acid
SMILESO=C(O)c1cc(Cl)cc(-c2ccccc2F)c1
InChIInChI=1S/C13H8ClFO2/c14-10-6-8(5-9(7-10)13(16)17)11-3-1-2-4-12(11)15/h1-7H,(H,16,17)
InChIKeyNGYHHAYOHFBBSQ-UHFFFAOYSA-N
XLogP3.84
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.66
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(2-fluorophenyl)benzoic acid?
The IUPAC name of 3-chloro-5-(2-fluorophenyl)benzoic acid (CID 46314465) is 3-chloro-5-(2-fluorophenyl)benzoic acid.
What is the SMILES notation for 3-chloro-5-(2-fluorophenyl)benzoic acid?
The canonical SMILES for 3-chloro-5-(2-fluorophenyl)benzoic acid is O=C(O)c1cc(Cl)cc(-c2ccccc2F)c1.
What is the InChIKey of 3-chloro-5-(2-fluorophenyl)benzoic acid?
The InChIKey is NGYHHAYOHFBBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFO2/c14-10-6-8(5-9(7-10)13(16)17)11-3-1-2-4-12(11)15/h1-7H,(H,16,17).
What are the key properties of 3-chloro-5-(2-fluorophenyl)benzoic acid?
3-chloro-5-(2-fluorophenyl)benzoic acid has a molecular weight of 250.66 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(2-fluorophenyl)benzoic acid is sourced from PubChem (CID 46314465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).