2-(difluoromethoxy)-2-(2-methylphenyl)acetic acid

C10H10F2O3 — CID 84723828

IUPAC2-(difluoromethoxy)-2-(2-methylphenyl)acetic acid
SMILESCc1ccccc1C(OC(F)F)C(=O)O
InChIInChI=1S/C10H10F2O3/c1-6-4-2-3-5-7(6)8(9(13)14)15-10(11)12/h2-5,8,10H,1H3,(H,13,14)
InChIKeyVKGQCHDTTGSJPU-UHFFFAOYSA-N
MW216.18 g/mol
LogP2.36
Rot. Bonds4

About 2-(difluoromethoxy)-2-(2-methylphenyl)acetic acid

2-(difluoromethoxy)-2-(2-methylphenyl)acetic acid (PubChem CID 84723828) has the molecular formula C10H10F2O3 and a molecular weight of 216.18 g/mol. Its IUPAC name is 2-(difluoromethoxy)-2-(2-methylphenyl)acetic acid.

Molecular Properties

Compound Name2-(difluoromethoxy)-2-(2-methylphenyl)acetic acid
PubChem CID84723828
Molecular FormulaC10H10F2O3
Molecular Weight216.18 g/mol
Exact Mass216.06
IUPAC Name2-(difluoromethoxy)-2-(2-methylphenyl)acetic acid
SMILESCc1ccccc1C(OC(F)F)C(=O)O
InChIInChI=1S/C10H10F2O3/c1-6-4-2-3-5-7(6)8(9(13)14)15-10(11)12/h2-5,8,10H,1H3,(H,13,14)
InChIKeyVKGQCHDTTGSJPU-UHFFFAOYSA-N
XLogP2.36
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.18
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-hydroxyethoxy)-2-(2-methylphenyl)acetic acid
CID 83223513
2-(2-fluoro-3-methylphenyl)-2-methoxyacetic acid
CID 130877921
2-methoxy-2-(2-methylphenyl)-1-phenylethanone
CID 71321553
2-chloro-2-(2-methylphenyl)acetic acid
CID 23338325
(2S,3R)-3-amino-2-hydroxy-3-(2-methylphenyl)propanoic acid
CID 124510338
acetic acid;(2-methylphenyl)methanediol
CID 71361235
3-ethoxy-2-(2-methylphenyl)-3-oxopropanoic acid
CID 103974778
(2R)-2-(methoxycarbonylamino)-2-(2-methylphenyl)acetic acid
CID 67681824
methyl (2S)-2-acetyloxy-2-(2-methylphenyl)acetate
CID 125477072
(2S,3S)-2-amino-3-(2-methylphenyl)butanoic acid
CID 14598183
2-[hydroxy-(2-methylphenyl)methyl]-3-methylbutanoic acid
CID 62396840
4-(dimethylamino)-2-(2-methylphenyl)-4-oxobutanoic acid
CID 82129376

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-2-(2-methylphenyl)acetic acid?
The IUPAC name of 2-(difluoromethoxy)-2-(2-methylphenyl)acetic acid (CID 84723828) is 2-(difluoromethoxy)-2-(2-methylphenyl)acetic acid.
What is the SMILES notation for 2-(difluoromethoxy)-2-(2-methylphenyl)acetic acid?
The canonical SMILES for 2-(difluoromethoxy)-2-(2-methylphenyl)acetic acid is Cc1ccccc1C(OC(F)F)C(=O)O.
What is the InChIKey of 2-(difluoromethoxy)-2-(2-methylphenyl)acetic acid?
The InChIKey is VKGQCHDTTGSJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O3/c1-6-4-2-3-5-7(6)8(9(13)14)15-10(11)12/h2-5,8,10H,1H3,(H,13,14).
What are the key properties of 2-(difluoromethoxy)-2-(2-methylphenyl)acetic acid?
2-(difluoromethoxy)-2-(2-methylphenyl)acetic acid has a molecular weight of 216.18 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-(difluoromethoxy)-2-(2-methylphenyl)acetic acid is sourced from PubChem (CID 84723828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).