2-[(2-chlorophenyl)methoxy]-2-fluoroacetic acid

C9H8ClFO3 — CID 79356366

IUPAC2-[(2-chlorophenyl)methoxy]-2-fluoroacetic acid
SMILESO=C(O)C(F)OCc1ccccc1Cl
InChIInChI=1S/C9H8ClFO3/c10-7-4-2-1-3-6(7)5-14-8(11)9(12)13/h1-4,8H,5H2,(H,12,13)
InChIKeySKUXBPUEAPDICN-UHFFFAOYSA-N
MW218.61 g/mol
LogP2.24
Rot. Bonds4

About 2-[(2-chlorophenyl)methoxy]-2-fluoroacetic acid

2-[(2-chlorophenyl)methoxy]-2-fluoroacetic acid (PubChem CID 79356366) has the molecular formula C9H8ClFO3 and a molecular weight of 218.61 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methoxy]-2-fluoroacetic acid.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methoxy]-2-fluoroacetic acid
PubChem CID79356366
Molecular FormulaC9H8ClFO3
Molecular Weight218.61 g/mol
Exact Mass218.01
IUPAC Name2-[(2-chlorophenyl)methoxy]-2-fluoroacetic acid
SMILESO=C(O)C(F)OCc1ccccc1Cl
InChIInChI=1S/C9H8ClFO3/c10-7-4-2-1-3-6(7)5-14-8(11)9(12)13/h1-4,8H,5H2,(H,12,13)
InChIKeySKUXBPUEAPDICN-UHFFFAOYSA-N
XLogP2.24
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.61
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-chlorophenyl)methoxy]propanoic acid
CID 24699510
2-[(2-chlorophenyl)methylsulfanyl]-2-fluoroacetic acid
CID 103288030
2-[(2-chlorophenyl)methoxy]-2-phenylacetohydrazide
CID 63588720
2-(2-chlorophenoxy)-2-fluoroacetic acid
CID 79356644
(2-chlorophenyl)methyl (2S)-2-amino-3-sulfanylpropanoate
CID 107774129
(2R)-3-(2-chlorophenyl)-2-methylpropanoic acid
CID 40999440
(2-chlorophenyl)methyl 2-aminoacetate
CID 54593146
(2-chlorophenyl)methyl (2S)-3-amino-2-hydroxypropanoate
CID 107837533
2-fluoro-2-(furan-2-ylmethoxy)acetic acid
CID 79357493
sodium;2-(2-chlorophenyl)acetic acid;hydride
CID 174699179
(2S)-3-(2-chlorophenyl)-2-phenoxypropanoic acid
CID 99646181
2-[2-[(2-chlorophenyl)methyl]phenyl]propanoic acid
CID 59987709

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methoxy]-2-fluoroacetic acid?
The IUPAC name of 2-[(2-chlorophenyl)methoxy]-2-fluoroacetic acid (CID 79356366) is 2-[(2-chlorophenyl)methoxy]-2-fluoroacetic acid.
What is the SMILES notation for 2-[(2-chlorophenyl)methoxy]-2-fluoroacetic acid?
The canonical SMILES for 2-[(2-chlorophenyl)methoxy]-2-fluoroacetic acid is O=C(O)C(F)OCc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methoxy]-2-fluoroacetic acid?
The InChIKey is SKUXBPUEAPDICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFO3/c10-7-4-2-1-3-6(7)5-14-8(11)9(12)13/h1-4,8H,5H2,(H,12,13).
What are the key properties of 2-[(2-chlorophenyl)methoxy]-2-fluoroacetic acid?
2-[(2-chlorophenyl)methoxy]-2-fluoroacetic acid has a molecular weight of 218.61 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methoxy]-2-fluoroacetic acid is sourced from PubChem (CID 79356366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).