2-(2,3-dichlorophenoxy)-2-fluoroacetic acid

C8H5Cl2FO3 — CID 79356464

IUPAC2-(2,3-dichlorophenoxy)-2-fluoroacetic acid
SMILESO=C(O)C(F)Oc1cccc(Cl)c1Cl
InChIInChI=1S/C8H5Cl2FO3/c9-4-2-1-3-5(6(4)10)14-7(11)8(12)13/h1-3,7H,(H,12,13)
InChIKeyYGIHFRDYVCFFRM-UHFFFAOYSA-N
MW239.03 g/mol
LogP2.75
Rot. Bonds3

About 2-(2,3-dichlorophenoxy)-2-fluoroacetic acid

2-(2,3-dichlorophenoxy)-2-fluoroacetic acid (PubChem CID 79356464) has the molecular formula C8H5Cl2FO3 and a molecular weight of 239.03 g/mol. Its IUPAC name is 2-(2,3-dichlorophenoxy)-2-fluoroacetic acid.

Molecular Properties

Compound Name2-(2,3-dichlorophenoxy)-2-fluoroacetic acid
PubChem CID79356464
Molecular FormulaC8H5Cl2FO3
Molecular Weight239.03 g/mol
Exact Mass237.96
IUPAC Name2-(2,3-dichlorophenoxy)-2-fluoroacetic acid
SMILESO=C(O)C(F)Oc1cccc(Cl)c1Cl
InChIInChI=1S/C8H5Cl2FO3/c9-4-2-1-3-5(6(4)10)14-7(11)8(12)13/h1-3,7H,(H,12,13)
InChIKeyYGIHFRDYVCFFRM-UHFFFAOYSA-N
XLogP2.75
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.03
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenoxy)-2-fluoroacetic acid
CID 79356644
2-(3-chloro-2-cyanophenoxy)-2-fluoroacetic acid
CID 114322405
(2R)-2-(2,3-dichlorophenoxy)propanamide
CID 7372370
2-(2-bromophenoxy)-2-fluoroacetic acid
CID 79356837
2-fluoro-2-(2,3,4,5,6-pentachlorophenoxy)acetic acid
CID 79357320
2-(2,3-dichlorophenoxy)-N-(4-fluorophenyl)propanamide
CID 42990420
1-(3-chlorophenyl)-2-(2,3-dichlorophenoxy)propan-1-one
CID 60624707
1-(1-bromoethoxy)-2,3-dichlorobenzene
CID 67903309
(2,3-dichlorophenyl) 2,2-diphenylacetate
CID 5086798
(2,3-dichlorophenyl) 2-bromoacetate
CID 91723900
1,2-dichloro-3-(2,6-dichlorophenoxy)benzene
CID 72941859
2-[2-(2,3-dichlorophenoxy)propanoyl-methylamino]-2-methylpropanoic acid
CID 119200838

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenoxy)-2-fluoroacetic acid?
The IUPAC name of 2-(2,3-dichlorophenoxy)-2-fluoroacetic acid (CID 79356464) is 2-(2,3-dichlorophenoxy)-2-fluoroacetic acid.
What is the SMILES notation for 2-(2,3-dichlorophenoxy)-2-fluoroacetic acid?
The canonical SMILES for 2-(2,3-dichlorophenoxy)-2-fluoroacetic acid is O=C(O)C(F)Oc1cccc(Cl)c1Cl.
What is the InChIKey of 2-(2,3-dichlorophenoxy)-2-fluoroacetic acid?
The InChIKey is YGIHFRDYVCFFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2FO3/c9-4-2-1-3-5(6(4)10)14-7(11)8(12)13/h1-3,7H,(H,12,13).
What are the key properties of 2-(2,3-dichlorophenoxy)-2-fluoroacetic acid?
2-(2,3-dichlorophenoxy)-2-fluoroacetic acid has a molecular weight of 239.03 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenoxy)-2-fluoroacetic acid is sourced from PubChem (CID 79356464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).