2-(2-chlorophenoxy)-2-fluoroacetic acid

C8H6ClFO3 — CID 79356644

IUPAC2-(2-chlorophenoxy)-2-fluoroacetic acid
SMILESO=C(O)C(F)Oc1ccccc1Cl
InChIInChI=1S/C8H6ClFO3/c9-5-3-1-2-4-6(5)13-7(10)8(11)12/h1-4,7H,(H,11,12)
InChIKeyKCDNHYRZUVNAGZ-UHFFFAOYSA-N
MW204.58 g/mol
LogP2.10
Rot. Bonds3

About 2-(2-chlorophenoxy)-2-fluoroacetic acid

2-(2-chlorophenoxy)-2-fluoroacetic acid (PubChem CID 79356644) has the molecular formula C8H6ClFO3 and a molecular weight of 204.58 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-2-fluoroacetic acid.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-2-fluoroacetic acid
PubChem CID79356644
Molecular FormulaC8H6ClFO3
Molecular Weight204.58 g/mol
Exact Mass204.00
IUPAC Name2-(2-chlorophenoxy)-2-fluoroacetic acid
SMILESO=C(O)C(F)Oc1ccccc1Cl
InChIInChI=1S/C8H6ClFO3/c9-5-3-1-2-4-6(5)13-7(10)8(11)12/h1-4,7H,(H,11,12)
InChIKeyKCDNHYRZUVNAGZ-UHFFFAOYSA-N
XLogP2.10
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.58
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dichlorophenoxy)-2-fluoroacetic acid
CID 79356464
2-(3-chloro-2-cyanophenoxy)-2-fluoroacetic acid
CID 114322405
2-(2-bromophenoxy)-2-fluoroacetic acid
CID 79356837
(2S)-3-amino-2-(2-chlorophenoxy)propanoic acid
CID 16730463
2-(2-chlorophenoxy)propanedioate
CID 19095840
2-[(2-chlorophenyl)methoxy]-2-fluoroacetic acid
CID 79356366
(2R)-2-[2-(2-chlorophenoxy)propanoylamino]propanoic acid
CID 54990962
3-(2-chlorophenoxy)pentanoic acid
CID 114990652
methyl 2-(2-chlorophenoxy)-2-phenylacetate
CID 102391876
(2S)-2-(2-chlorophenoxy)-3-(2,6-dimethylphenyl)propanoic acid
CID 100527792
(2S)-2-(2-chlorophenoxy)-3-(3,4-dichlorophenyl)propanoic acid
CID 100540005
3-(4-bromophenyl)-2-(2-chlorophenoxy)propanoic acid
CID 133245431

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-2-fluoroacetic acid?
The IUPAC name of 2-(2-chlorophenoxy)-2-fluoroacetic acid (CID 79356644) is 2-(2-chlorophenoxy)-2-fluoroacetic acid.
What is the SMILES notation for 2-(2-chlorophenoxy)-2-fluoroacetic acid?
The canonical SMILES for 2-(2-chlorophenoxy)-2-fluoroacetic acid is O=C(O)C(F)Oc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenoxy)-2-fluoroacetic acid?
The InChIKey is KCDNHYRZUVNAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClFO3/c9-5-3-1-2-4-6(5)13-7(10)8(11)12/h1-4,7H,(H,11,12).
What are the key properties of 2-(2-chlorophenoxy)-2-fluoroacetic acid?
2-(2-chlorophenoxy)-2-fluoroacetic acid has a molecular weight of 204.58 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-2-fluoroacetic acid is sourced from PubChem (CID 79356644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).