5-(4-cyanophenyl)-2-fluorobenzoic acid

C14H8FNO2 — CID 53225083

IUPAC5-(4-cyanophenyl)-2-fluorobenzoic acid
SMILESN#Cc1ccc(-c2ccc(F)c(C(=O)O)c2)cc1
InChIInChI=1S/C14H8FNO2/c15-13-6-5-11(7-12(13)14(17)18)10-3-1-9(8-16)2-4-10/h1-7H,(H,17,18)
InChIKeyHCQQUNUBYJYRTL-UHFFFAOYSA-N
MW241.22 g/mol
LogP3.06
Rot. Bonds2

About 5-(4-cyanophenyl)-2-fluorobenzoic acid

5-(4-cyanophenyl)-2-fluorobenzoic acid (PubChem CID 53225083) has the molecular formula C14H8FNO2 and a molecular weight of 241.22 g/mol. Its IUPAC name is 5-(4-cyanophenyl)-2-fluorobenzoic acid.

Molecular Properties

Compound Name5-(4-cyanophenyl)-2-fluorobenzoic acid
PubChem CID53225083
Molecular FormulaC14H8FNO2
Molecular Weight241.22 g/mol
Exact Mass241.05
IUPAC Name5-(4-cyanophenyl)-2-fluorobenzoic acid
SMILESN#Cc1ccc(-c2ccc(F)c(C(=O)O)c2)cc1
InChIInChI=1S/C14H8FNO2/c15-13-6-5-11(7-12(13)14(17)18)10-3-1-9(8-16)2-4-10/h1-7H,(H,17,18)
InChIKeyHCQQUNUBYJYRTL-UHFFFAOYSA-N
XLogP3.06
TPSA61.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-cyanophenyl)-2-fluorobenzoic acid?
The IUPAC name of 5-(4-cyanophenyl)-2-fluorobenzoic acid (CID 53225083) is 5-(4-cyanophenyl)-2-fluorobenzoic acid.
What is the SMILES notation for 5-(4-cyanophenyl)-2-fluorobenzoic acid?
The canonical SMILES for 5-(4-cyanophenyl)-2-fluorobenzoic acid is N#Cc1ccc(-c2ccc(F)c(C(=O)O)c2)cc1.
What is the InChIKey of 5-(4-cyanophenyl)-2-fluorobenzoic acid?
The InChIKey is HCQQUNUBYJYRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8FNO2/c15-13-6-5-11(7-12(13)14(17)18)10-3-1-9(8-16)2-4-10/h1-7H,(H,17,18).
What are the key properties of 5-(4-cyanophenyl)-2-fluorobenzoic acid?
5-(4-cyanophenyl)-2-fluorobenzoic acid has a molecular weight of 241.22 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyanophenyl)-2-fluorobenzoic acid is sourced from PubChem (CID 53225083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).