2-(3-chloro-2-cyanophenoxy)-5-fluorobenzoic acid

C14H7ClFNO3 — CID 115298124

IUPAC2-(3-chloro-2-cyanophenoxy)-5-fluorobenzoic acid
SMILESN#Cc1c(Cl)cccc1Oc1ccc(F)cc1C(=O)O
InChIInChI=1S/C14H7ClFNO3/c15-11-2-1-3-12(10(11)7-17)20-13-5-4-8(16)6-9(13)14(18)19/h1-6H,(H,18,19)
InChIKeyAFSZYQXQTRJJFL-UHFFFAOYSA-N
MW291.67 g/mol
LogP3.84
Rot. Bonds3

About 2-(3-chloro-2-cyanophenoxy)-5-fluorobenzoic acid

2-(3-chloro-2-cyanophenoxy)-5-fluorobenzoic acid (PubChem CID 115298124) has the molecular formula C14H7ClFNO3 and a molecular weight of 291.67 g/mol. Its IUPAC name is 2-(3-chloro-2-cyanophenoxy)-5-fluorobenzoic acid.

Molecular Properties

Compound Name2-(3-chloro-2-cyanophenoxy)-5-fluorobenzoic acid
PubChem CID115298124
Molecular FormulaC14H7ClFNO3
Molecular Weight291.67 g/mol
Exact Mass291.01
IUPAC Name2-(3-chloro-2-cyanophenoxy)-5-fluorobenzoic acid
SMILESN#Cc1c(Cl)cccc1Oc1ccc(F)cc1C(=O)O
InChIInChI=1S/C14H7ClFNO3/c15-11-2-1-3-12(10(11)7-17)20-13-5-4-8(16)6-9(13)14(18)19/h1-6H,(H,18,19)
InChIKeyAFSZYQXQTRJJFL-UHFFFAOYSA-N
XLogP3.84
TPSA70.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.67
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-2-cyanophenoxy)-4-fluorobenzoic acid
CID 107016561
2-(3-chloro-2-cyanophenoxy)-4-methylbenzoic acid
CID 62496708
4-(3-chloro-2-cyanophenoxy)-3-methylbenzoic acid
CID 107672821
2-(2-acetyl-4-aminophenoxy)-6-chlorobenzonitrile
CID 116541422
2-(2-bromo-4-cyanophenoxy)-5-fluorobenzoic acid
CID 82801775
3-chloro-4-(2-cyano-3-fluorophenoxy)benzoic acid
CID 79522906
2-chloro-6-(2-chlorophenoxy)benzonitrile
CID 60701753
2-[(2,6-dichlorophenyl)methoxy]-5-fluorobenzoic acid
CID 115298074
2-chloro-6-(2,4-dibromophenoxy)benzonitrile
CID 60678698
2-chloro-6-(2,4,5-trichlorophenoxy)benzonitrile
CID 60677682
5-fluoro-2-(2-methoxyphenoxy)benzoic acid
CID 43313324
2-(3-chloro-2-cyanophenoxy)-2-fluoroacetic acid
CID 114322405

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-cyanophenoxy)-5-fluorobenzoic acid?
The IUPAC name of 2-(3-chloro-2-cyanophenoxy)-5-fluorobenzoic acid (CID 115298124) is 2-(3-chloro-2-cyanophenoxy)-5-fluorobenzoic acid.
What is the SMILES notation for 2-(3-chloro-2-cyanophenoxy)-5-fluorobenzoic acid?
The canonical SMILES for 2-(3-chloro-2-cyanophenoxy)-5-fluorobenzoic acid is N#Cc1c(Cl)cccc1Oc1ccc(F)cc1C(=O)O.
What is the InChIKey of 2-(3-chloro-2-cyanophenoxy)-5-fluorobenzoic acid?
The InChIKey is AFSZYQXQTRJJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClFNO3/c15-11-2-1-3-12(10(11)7-17)20-13-5-4-8(16)6-9(13)14(18)19/h1-6H,(H,18,19).
What are the key properties of 2-(3-chloro-2-cyanophenoxy)-5-fluorobenzoic acid?
2-(3-chloro-2-cyanophenoxy)-5-fluorobenzoic acid has a molecular weight of 291.67 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-cyanophenoxy)-5-fluorobenzoic acid is sourced from PubChem (CID 115298124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).