2-(3-chloro-2-fluorophenoxy)-2,2-difluoroacetic acid

C8H4ClF3O3 — CID 116688443

IUPAC2-(3-chloro-2-fluorophenoxy)-2,2-difluoroacetic acid
SMILESO=C(O)C(F)(F)Oc1cccc(Cl)c1F
InChIInChI=1S/C8H4ClF3O3/c9-4-2-1-3-5(6(4)10)15-8(11,12)7(13)14/h1-3H,(H,13,14)
InChIKeyHILGZDHBWBICMK-UHFFFAOYSA-N
MW240.56 g/mol
LogP2.54
Rot. Bonds3

About 2-(3-chloro-2-fluorophenoxy)-2,2-difluoroacetic acid

2-(3-chloro-2-fluorophenoxy)-2,2-difluoroacetic acid (PubChem CID 116688443) has the molecular formula C8H4ClF3O3 and a molecular weight of 240.56 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenoxy)-2,2-difluoroacetic acid.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenoxy)-2,2-difluoroacetic acid
PubChem CID116688443
Molecular FormulaC8H4ClF3O3
Molecular Weight240.56 g/mol
Exact Mass239.98
IUPAC Name2-(3-chloro-2-fluorophenoxy)-2,2-difluoroacetic acid
SMILESO=C(O)C(F)(F)Oc1cccc(Cl)c1F
InChIInChI=1S/C8H4ClF3O3/c9-4-2-1-3-5(6(4)10)15-8(11,12)7(13)14/h1-3H,(H,13,14)
InChIKeyHILGZDHBWBICMK-UHFFFAOYSA-N
XLogP2.54
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.56
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-2-cyanophenoxy)-2,2-difluoroacetic acid
CID 114322410
1-chloro-2-fluoro-3-(trichloromethoxy)benzene
CID 71669471
2,2-difluoro-2-[2-(trifluoromethyl)phenoxy]acetic acid
CID 43651852
1-chloro-3-(3-chloro-2-fluorophenoxy)-2-fluorobenzene
CID 141078897
2-(3-chloro-2-fluorophenyl)-2-fluoropropanoic acid
CID 171559889
2-(3-chloro-2-fluorophenoxy)-3-methylbutanoic acid
CID 116688461
2-(3-chloro-2-fluorophenoxy)-2-methylpropan-1-amine
CID 116688788
2-bromo-6-(3-chloro-2-fluorophenoxy)benzoic acid
CID 114888729
3-chloro-4-[(3-chloro-2-fluorophenoxy)methyl]benzoic acid
CID 102670254
1-chloro-2-fluoro-3-methoxybenzene;methane
CID 142301090
4-amino-2-(3-chloro-2-fluorophenoxy)benzamide
CID 116688642
6-(3-chloro-2-fluorophenoxy)pyridazine-3-carboxylic acid
CID 116688881

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenoxy)-2,2-difluoroacetic acid?
The IUPAC name of 2-(3-chloro-2-fluorophenoxy)-2,2-difluoroacetic acid (CID 116688443) is 2-(3-chloro-2-fluorophenoxy)-2,2-difluoroacetic acid.
What is the SMILES notation for 2-(3-chloro-2-fluorophenoxy)-2,2-difluoroacetic acid?
The canonical SMILES for 2-(3-chloro-2-fluorophenoxy)-2,2-difluoroacetic acid is O=C(O)C(F)(F)Oc1cccc(Cl)c1F.
What is the InChIKey of 2-(3-chloro-2-fluorophenoxy)-2,2-difluoroacetic acid?
The InChIKey is HILGZDHBWBICMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF3O3/c9-4-2-1-3-5(6(4)10)15-8(11,12)7(13)14/h1-3H,(H,13,14).
What are the key properties of 2-(3-chloro-2-fluorophenoxy)-2,2-difluoroacetic acid?
2-(3-chloro-2-fluorophenoxy)-2,2-difluoroacetic acid has a molecular weight of 240.56 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenoxy)-2,2-difluoroacetic acid is sourced from PubChem (CID 116688443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).