2-fluoro-2-(2,3,4,5,6-pentachlorophenoxy)acetic acid

C8H2Cl5FO3 — CID 79357320

IUPAC2-fluoro-2-(2,3,4,5,6-pentachlorophenoxy)acetic acid
SMILESO=C(O)C(F)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C8H2Cl5FO3/c9-1-2(10)4(12)6(5(13)3(1)11)17-7(14)8(15)16/h7H,(H,15,16)
InChIKeyAGOKRWDJYJQHAK-UHFFFAOYSA-N
MW342.36 g/mol
LogP4.71
Rot. Bonds3

About 2-fluoro-2-(2,3,4,5,6-pentachlorophenoxy)acetic acid

2-fluoro-2-(2,3,4,5,6-pentachlorophenoxy)acetic acid (PubChem CID 79357320) has the molecular formula C8H2Cl5FO3 and a molecular weight of 342.36 g/mol. Its IUPAC name is 2-fluoro-2-(2,3,4,5,6-pentachlorophenoxy)acetic acid.

Molecular Properties

Compound Name2-fluoro-2-(2,3,4,5,6-pentachlorophenoxy)acetic acid
PubChem CID79357320
Molecular FormulaC8H2Cl5FO3
Molecular Weight342.36 g/mol
Exact Mass339.84
IUPAC Name2-fluoro-2-(2,3,4,5,6-pentachlorophenoxy)acetic acid
SMILESO=C(O)C(F)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C8H2Cl5FO3/c9-1-2(10)4(12)6(5(13)3(1)11)17-7(14)8(15)16/h7H,(H,15,16)
InChIKeyAGOKRWDJYJQHAK-UHFFFAOYSA-N
XLogP4.71
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(4-chloro-3,5-dimethylphenoxy)-2-fluoroacetic acid
CID 79357786
2-(2,3-dichlorophenoxy)-2-fluoroacetic acid
CID 79356464
2-(2-chlorophenoxy)-2-fluoroacetic acid
CID 79356644
2-fluoro-2-(4-propanoylphenoxy)acetic acid
CID 79357393
2-(4-acetamidophenoxy)-2-fluoroacetic acid
CID 79357671
2-(3-chloro-2-cyanophenoxy)-2-fluoroacetic acid
CID 114322405
2-[3,6-dichloro-2-(difluoromethoxy)phenyl]-2-hydroxyacetic acid
CID 121228253
2-fluoro-2-(1-methylpyrazol-4-yl)oxyacetic acid
CID 116792176
2-(2-bromophenoxy)-2-fluoroacetic acid
CID 79356837
(2S)-2-[2,4-dichloro-3-(difluoromethoxy)phenyl]-2-hydroxyacetic acid
CID 125129554
(2,3,4,5,6-pentachlorophenyl) hypochlorite
CID 19035248
(2-acetyloxy-3,4,5,6-tetrachlorophenyl) acetate
CID 619084

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(2,3,4,5,6-pentachlorophenoxy)acetic acid?
The IUPAC name of 2-fluoro-2-(2,3,4,5,6-pentachlorophenoxy)acetic acid (CID 79357320) is 2-fluoro-2-(2,3,4,5,6-pentachlorophenoxy)acetic acid.
What is the SMILES notation for 2-fluoro-2-(2,3,4,5,6-pentachlorophenoxy)acetic acid?
The canonical SMILES for 2-fluoro-2-(2,3,4,5,6-pentachlorophenoxy)acetic acid is O=C(O)C(F)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl.
What is the InChIKey of 2-fluoro-2-(2,3,4,5,6-pentachlorophenoxy)acetic acid?
The InChIKey is AGOKRWDJYJQHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2Cl5FO3/c9-1-2(10)4(12)6(5(13)3(1)11)17-7(14)8(15)16/h7H,(H,15,16).
What are the key properties of 2-fluoro-2-(2,3,4,5,6-pentachlorophenoxy)acetic acid?
2-fluoro-2-(2,3,4,5,6-pentachlorophenoxy)acetic acid has a molecular weight of 342.36 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(2,3,4,5,6-pentachlorophenoxy)acetic acid is sourced from PubChem (CID 79357320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).