2-(3,5-difluorophenyl)-2-methoxyacetic acid

C9H8F2O3 — CID 22392927

IUPAC2-(3,5-difluorophenyl)-2-methoxyacetic acid
SMILESCOC(C(=O)O)c1cc(F)cc(F)c1
InChIInChI=1S/C9H8F2O3/c1-14-8(9(12)13)5-2-6(10)4-7(11)3-5/h2-4,8H,1H3,(H,12,13)
InChIKeyZGAAFRQSQHBMLM-UHFFFAOYSA-N
MW202.16 g/mol
LogP1.74
Rot. Bonds3

About 2-(3,5-difluorophenyl)-2-methoxyacetic acid

2-(3,5-difluorophenyl)-2-methoxyacetic acid (PubChem CID 22392927) has the molecular formula C9H8F2O3 and a molecular weight of 202.16 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-2-methoxyacetic acid.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-2-methoxyacetic acid
PubChem CID22392927
Molecular FormulaC9H8F2O3
Molecular Weight202.16 g/mol
Exact Mass202.04
IUPAC Name2-(3,5-difluorophenyl)-2-methoxyacetic acid
SMILESCOC(C(=O)O)c1cc(F)cc(F)c1
InChIInChI=1S/C9H8F2O3/c1-14-8(9(12)13)5-2-6(10)4-7(11)3-5/h2-4,8H,1H3,(H,12,13)
InChIKeyZGAAFRQSQHBMLM-UHFFFAOYSA-N
XLogP1.74
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.16
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(difluoromethyl)phenyl]-2-methoxyacetic acid
CID 116769538
2-(3,4-dimethylphenyl)-2-methoxyacetic acid
CID 83224323
2-(3,5-difluorophenyl)-2-(4-methoxyphenyl)acetic acid
CID 142375762
(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetic acid;hydrochloride
CID 70033662
(2S)-2-methoxy-2-[4-(trifluoromethyl)phenyl]acetic acid
CID 97052451
2-(3,5-difluorophenyl)-2-(dimethylamino)acetic acid
CID 106531816
methyl 2-(3,5-difluorophenyl)-2-fluoroacetate
CID 22312713
2-(3,5-difluorophenyl)-2-methoxy-N-(2-propan-2-yl-1,2,4-triazol-3-yl)acetamide
CID 167823606
acetic acid;1,3,5-trifluorobenzene
CID 162178148
(2R)-2-(3-aminophenyl)-2-methoxyacetic acid
CID 67007354
2-(5-chloro-2-fluorophenyl)-2-methoxyacetic acid
CID 114868069
methyl 2-bromo-2-(3,5-difluorophenyl)acetate
CID 86589535

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-2-methoxyacetic acid?
The IUPAC name of 2-(3,5-difluorophenyl)-2-methoxyacetic acid (CID 22392927) is 2-(3,5-difluorophenyl)-2-methoxyacetic acid.
What is the SMILES notation for 2-(3,5-difluorophenyl)-2-methoxyacetic acid?
The canonical SMILES for 2-(3,5-difluorophenyl)-2-methoxyacetic acid is COC(C(=O)O)c1cc(F)cc(F)c1.
What is the InChIKey of 2-(3,5-difluorophenyl)-2-methoxyacetic acid?
The InChIKey is ZGAAFRQSQHBMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2O3/c1-14-8(9(12)13)5-2-6(10)4-7(11)3-5/h2-4,8H,1H3,(H,12,13).
What are the key properties of 2-(3,5-difluorophenyl)-2-methoxyacetic acid?
2-(3,5-difluorophenyl)-2-methoxyacetic acid has a molecular weight of 202.16 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-2-methoxyacetic acid is sourced from PubChem (CID 22392927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).