2-[4-(difluoromethoxy)-5-fluoro-2-methylphenyl]acetic acid

C10H9F3O3 — CID 171031868

IUPAC2-[4-(difluoromethoxy)-5-fluoro-2-methylphenyl]acetic acid
SMILESCc1cc(OC(F)F)c(F)cc1CC(=O)O
InChIInChI=1S/C10H9F3O3/c1-5-2-8(16-10(12)13)7(11)3-6(5)4-9(14)15/h2-3,10H,4H2,1H3,(H,14,15)
InChIKeyWPJIPJUEIVEOGJ-UHFFFAOYSA-N
MW234.17 g/mol
LogP2.36
Rot. Bonds4

About 2-[4-(difluoromethoxy)-5-fluoro-2-methylphenyl]acetic acid

2-[4-(difluoromethoxy)-5-fluoro-2-methylphenyl]acetic acid (PubChem CID 171031868) has the molecular formula C10H9F3O3 and a molecular weight of 234.17 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)-5-fluoro-2-methylphenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)-5-fluoro-2-methylphenyl]acetic acid
PubChem CID171031868
Molecular FormulaC10H9F3O3
Molecular Weight234.17 g/mol
Exact Mass234.05
IUPAC Name2-[4-(difluoromethoxy)-5-fluoro-2-methylphenyl]acetic acid
SMILESCc1cc(OC(F)F)c(F)cc1CC(=O)O
InChIInChI=1S/C10H9F3O3/c1-5-2-8(16-10(12)13)7(11)3-6(5)4-9(14)15/h2-3,10H,4H2,1H3,(H,14,15)
InChIKeyWPJIPJUEIVEOGJ-UHFFFAOYSA-N
XLogP2.36
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.17
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(difluoromethoxy)-5-fluoro-2-methylbenzoic acid
CID 131290844
2-[5-chloro-2-(difluoromethoxy)-4-methylphenyl]acetic acid
CID 171005300
2-[4-(difluoromethoxy)-2-formyl-5-methylphenyl]acetic acid
CID 171032111
2-[4-(difluoromethoxy)-5-fluoro-2-pyridinyl]acetic acid
CID 137346925
2-[2-(chloromethyl)-5-(difluoromethoxy)-4-methylphenyl]acetic acid
CID 171022072
2-(chloromethyl)-5-(difluoromethoxy)-4-fluorobenzoic acid
CID 171021997
2-(5-fluoro-2-methoxy-4-methylphenyl)acetic acid
CID 84668061
2-(4-amino-5-fluoro-2-methylphenyl)acetic acid
CID 91755197
ethyl 2-(chloromethyl)-5-(difluoromethoxy)-4-fluorobenzoate
CID 171018380
(E)-3-[5-(difluoromethoxy)-4-fluoro-2-methylphenyl]prop-2-enoic acid
CID 171026225
2-[4-(carboxymethyl)-2,5-dimethylphenyl]acetic acid
CID 658274
2-(difluoromethoxy)-4,5-dimethylbenzoic acid
CID 131524654

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)-5-fluoro-2-methylphenyl]acetic acid?
The IUPAC name of 2-[4-(difluoromethoxy)-5-fluoro-2-methylphenyl]acetic acid (CID 171031868) is 2-[4-(difluoromethoxy)-5-fluoro-2-methylphenyl]acetic acid.
What is the SMILES notation for 2-[4-(difluoromethoxy)-5-fluoro-2-methylphenyl]acetic acid?
The canonical SMILES for 2-[4-(difluoromethoxy)-5-fluoro-2-methylphenyl]acetic acid is Cc1cc(OC(F)F)c(F)cc1CC(=O)O.
What is the InChIKey of 2-[4-(difluoromethoxy)-5-fluoro-2-methylphenyl]acetic acid?
The InChIKey is WPJIPJUEIVEOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O3/c1-5-2-8(16-10(12)13)7(11)3-6(5)4-9(14)15/h2-3,10H,4H2,1H3,(H,14,15).
What are the key properties of 2-[4-(difluoromethoxy)-5-fluoro-2-methylphenyl]acetic acid?
2-[4-(difluoromethoxy)-5-fluoro-2-methylphenyl]acetic acid has a molecular weight of 234.17 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)-5-fluoro-2-methylphenyl]acetic acid is sourced from PubChem (CID 171031868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).