2-(4-chloro-3,5-dimethylphenoxy)-2-fluoroacetic acid

C10H10ClFO3 — CID 79357786

IUPAC2-(4-chloro-3,5-dimethylphenoxy)-2-fluoroacetic acid
SMILESCc1cc(OC(F)C(=O)O)cc(C)c1Cl
InChIInChI=1S/C10H10ClFO3/c1-5-3-7(4-6(2)8(5)11)15-9(12)10(13)14/h3-4,9H,1-2H3,(H,13,14)
InChIKeyXSUJMDKSEOTSCB-UHFFFAOYSA-N
MW232.64 g/mol
LogP2.72
Rot. Bonds3

About 2-(4-chloro-3,5-dimethylphenoxy)-2-fluoroacetic acid

2-(4-chloro-3,5-dimethylphenoxy)-2-fluoroacetic acid (PubChem CID 79357786) has the molecular formula C10H10ClFO3 and a molecular weight of 232.64 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylphenoxy)-2-fluoroacetic acid.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylphenoxy)-2-fluoroacetic acid
PubChem CID79357786
Molecular FormulaC10H10ClFO3
Molecular Weight232.64 g/mol
Exact Mass232.03
IUPAC Name2-(4-chloro-3,5-dimethylphenoxy)-2-fluoroacetic acid
SMILESCc1cc(OC(F)C(=O)O)cc(C)c1Cl
InChIInChI=1S/C10H10ClFO3/c1-5-3-7(4-6(2)8(5)11)15-9(12)10(13)14/h3-4,9H,1-2H3,(H,13,14)
InChIKeyXSUJMDKSEOTSCB-UHFFFAOYSA-N
XLogP2.72
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.64
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(4-chloro-3,5-dimethylphenoxy)butanoic acid
CID 40579734
2-(4-chloro-3,5-dimethylphenoxy)butanoic acid
CID 13218780
2-(4-chloro-3,5-dimethylphenoxy)-2,2-difluoroacetic acid
CID 43651972
(4-chloro-3,5-dimethylphenyl) 2,2-dichloroacetate
CID 19170504
(4-chloro-3,5-dimethylphenyl) trifluoromethanesulfonate
CID 135085815
2-[3-(bromomethyl)-4-chloro-5-methylphenoxy]-3-methylbutanoic acid
CID 89264146
(2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[(1S)-1-phenylethyl]propanamide
CID 734857
(2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[(1S)-1-phenylpropyl]propanamide
CID 30394470
2-(4-chloro-3,5-dimethylphenoxy)-N-(1-phenylpropyl)propanamide
CID 17328049
2-(4-chloro-3,5-dimethylphenoxy)-1-piperidin-1-ylpropan-1-one
CID 2969657
3-(4-chloro-3,5-dimethylphenoxy)-2-phenylpropanoic acid
CID 63074496
(2S)-2-(4-chloro-3,5-dimethylphenoxy)-N-(3,5-dimethylphenyl)propanamide
CID 734849

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-2-fluoroacetic acid?
The IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-2-fluoroacetic acid (CID 79357786) is 2-(4-chloro-3,5-dimethylphenoxy)-2-fluoroacetic acid.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylphenoxy)-2-fluoroacetic acid?
The canonical SMILES for 2-(4-chloro-3,5-dimethylphenoxy)-2-fluoroacetic acid is Cc1cc(OC(F)C(=O)O)cc(C)c1Cl.
What is the InChIKey of 2-(4-chloro-3,5-dimethylphenoxy)-2-fluoroacetic acid?
The InChIKey is XSUJMDKSEOTSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFO3/c1-5-3-7(4-6(2)8(5)11)15-9(12)10(13)14/h3-4,9H,1-2H3,(H,13,14).
What are the key properties of 2-(4-chloro-3,5-dimethylphenoxy)-2-fluoroacetic acid?
2-(4-chloro-3,5-dimethylphenoxy)-2-fluoroacetic acid has a molecular weight of 232.64 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylphenoxy)-2-fluoroacetic acid is sourced from PubChem (CID 79357786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).