3-(2-cyano-3-fluorophenoxy)benzoic acid

C14H8FNO3 — CID 63943454

IUPAC3-(2-cyano-3-fluorophenoxy)benzoic acid
SMILESN#Cc1c(F)cccc1Oc1cccc(C(=O)O)c1
InChIInChI=1S/C14H8FNO3/c15-12-5-2-6-13(11(12)8-16)19-10-4-1-3-9(7-10)14(17)18/h1-7H,(H,17,18)
InChIKeyDCHOPDVLYOQNHW-UHFFFAOYSA-N
MW257.22 g/mol
LogP3.19
Rot. Bonds3

About 3-(2-cyano-3-fluorophenoxy)benzoic acid

3-(2-cyano-3-fluorophenoxy)benzoic acid (PubChem CID 63943454) has the molecular formula C14H8FNO3 and a molecular weight of 257.22 g/mol. Its IUPAC name is 3-(2-cyano-3-fluorophenoxy)benzoic acid.

Molecular Properties

Compound Name3-(2-cyano-3-fluorophenoxy)benzoic acid
PubChem CID63943454
Molecular FormulaC14H8FNO3
Molecular Weight257.22 g/mol
Exact Mass257.05
IUPAC Name3-(2-cyano-3-fluorophenoxy)benzoic acid
SMILESN#Cc1c(F)cccc1Oc1cccc(C(=O)O)c1
InChIInChI=1S/C14H8FNO3/c15-12-5-2-6-13(11(12)8-16)19-10-4-1-3-9(7-10)14(17)18/h1-7H,(H,17,18)
InChIKeyDCHOPDVLYOQNHW-UHFFFAOYSA-N
XLogP3.19
TPSA70.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-(2-cyano-3-fluorophenoxy)benzoic acid
CID 79522906
2-(4-cyano-3-fluorophenoxy)-6-fluorobenzonitrile
CID 78952780
2-(3-chlorophenoxy)-6-fluorobenzonitrile
CID 24777412
5-(2-cyano-3-fluorophenoxy)pyridine-2-carboxylic acid
CID 104638416
2-[3-(dimethylamino)phenoxy]-6-fluorobenzonitrile
CID 79512940
2-[3-(chloromethyl)phenoxy]-6-fluorobenzonitrile
CID 112594505
2-(3-cyano-4-nitrophenoxy)-6-fluorobenzonitrile
CID 115501499
3-(4-acetyl-2-fluorophenoxy)benzoic acid
CID 61395599
2-(4-aminophenoxy)-6-fluorobenzonitrile
CID 43609010
2-(4-bromophenoxy)-6-fluorobenzonitrile
CID 9029439
3-(5-cyano-2-methylphenoxy)benzoic acid
CID 107658929
4-(2-cyano-3-methylsulfanylphenoxy)-2-fluorobenzoic acid
CID 107677368

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyano-3-fluorophenoxy)benzoic acid?
The IUPAC name of 3-(2-cyano-3-fluorophenoxy)benzoic acid (CID 63943454) is 3-(2-cyano-3-fluorophenoxy)benzoic acid.
What is the SMILES notation for 3-(2-cyano-3-fluorophenoxy)benzoic acid?
The canonical SMILES for 3-(2-cyano-3-fluorophenoxy)benzoic acid is N#Cc1c(F)cccc1Oc1cccc(C(=O)O)c1.
What is the InChIKey of 3-(2-cyano-3-fluorophenoxy)benzoic acid?
The InChIKey is DCHOPDVLYOQNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8FNO3/c15-12-5-2-6-13(11(12)8-16)19-10-4-1-3-9(7-10)14(17)18/h1-7H,(H,17,18).
What are the key properties of 3-(2-cyano-3-fluorophenoxy)benzoic acid?
3-(2-cyano-3-fluorophenoxy)benzoic acid has a molecular weight of 257.22 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyano-3-fluorophenoxy)benzoic acid is sourced from PubChem (CID 63943454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).