2-(3,5-difluorophenyl)-2-(dimethylamino)acetic acid

C10H11F2NO2 — CID 106531816

IUPAC2-(3,5-difluorophenyl)-2-(dimethylamino)acetic acid
SMILESCN(C)C(C(=O)O)c1cc(F)cc(F)c1
InChIInChI=1S/C10H11F2NO2/c1-13(2)9(10(14)15)6-3-7(11)5-8(12)4-6/h3-5,9H,1-2H3,(H,14,15)
InChIKeyVOLFCZWQCHAVAJ-UHFFFAOYSA-N
MW215.20 g/mol
LogP1.65
Rot. Bonds3

About 2-(3,5-difluorophenyl)-2-(dimethylamino)acetic acid

2-(3,5-difluorophenyl)-2-(dimethylamino)acetic acid (PubChem CID 106531816) has the molecular formula C10H11F2NO2 and a molecular weight of 215.20 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-2-(dimethylamino)acetic acid.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-2-(dimethylamino)acetic acid
PubChem CID106531816
Molecular FormulaC10H11F2NO2
Molecular Weight215.20 g/mol
Exact Mass215.08
IUPAC Name2-(3,5-difluorophenyl)-2-(dimethylamino)acetic acid
SMILESCN(C)C(C(=O)O)c1cc(F)cc(F)c1
InChIInChI=1S/C10H11F2NO2/c1-13(2)9(10(14)15)6-3-7(11)5-8(12)4-6/h3-5,9H,1-2H3,(H,14,15)
InChIKeyVOLFCZWQCHAVAJ-UHFFFAOYSA-N
XLogP1.65
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-difluorophenyl)-2-[ethyl(formyl)amino]acetic acid
CID 106528971
(2R)-2-(dimethylamino)-2-(4-hydroxyphenyl)acetic acid
CID 93297353
2-[2-(3,5-difluorophenyl)propyl-methylamino]propanoic acid
CID 122036895
(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetic acid;hydrochloride
CID 70033662
2-[acetyl(ethyl)amino]-2-[3-fluoro-5-(trifluoromethyl)phenyl]acetic acid
CID 115350944
2-(dimethylamino)-2-(5-methylthiophen-3-yl)acetic acid
CID 131031436
(2R)-2-(dimethylamino)-2-pyridin-4-ylacetic acid
CID 66718288
carboxy-[1-(3,5-difluorophenyl)ethyl]carbamic acid
CID 66955357
2-(3,5-difluorophenyl)-2-methoxyacetic acid
CID 22392927
acetic acid;1,3,5-trifluorobenzene
CID 162178148
(2S)-2-(dimethylamino)-2-(2-fluorophenyl)acetic acid
CID 26722551
2-(3,5-difluorophenyl)-4-methylpentanoic acid
CID 82081315

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-2-(dimethylamino)acetic acid?
The IUPAC name of 2-(3,5-difluorophenyl)-2-(dimethylamino)acetic acid (CID 106531816) is 2-(3,5-difluorophenyl)-2-(dimethylamino)acetic acid.
What is the SMILES notation for 2-(3,5-difluorophenyl)-2-(dimethylamino)acetic acid?
The canonical SMILES for 2-(3,5-difluorophenyl)-2-(dimethylamino)acetic acid is CN(C)C(C(=O)O)c1cc(F)cc(F)c1.
What is the InChIKey of 2-(3,5-difluorophenyl)-2-(dimethylamino)acetic acid?
The InChIKey is VOLFCZWQCHAVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO2/c1-13(2)9(10(14)15)6-3-7(11)5-8(12)4-6/h3-5,9H,1-2H3,(H,14,15).
What are the key properties of 2-(3,5-difluorophenyl)-2-(dimethylamino)acetic acid?
2-(3,5-difluorophenyl)-2-(dimethylamino)acetic acid has a molecular weight of 215.20 g/mol, XLogP of 1.65, 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-(dimethylamino)acetic acid is sourced from PubChem (CID 106531816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).