2-(dimethylamino)-2-(2-fluorophenyl)acetic acid

C10H12FNO2 — CID 22016552

IUPAC2-(dimethylamino)-2-(2-fluorophenyl)acetic acid
SMILESCN(C)C(C(=O)O)c1ccccc1F
InChIInChI=1S/C10H12FNO2/c1-12(2)9(10(13)14)7-5-3-4-6-8(7)11/h3-6,9H,1-2H3,(H,13,14)
InChIKeyJCWUTEGWHABTTF-UHFFFAOYSA-N
MW197.21 g/mol
LogP1.51
Rot. Bonds3

About 2-(dimethylamino)-2-(2-fluorophenyl)acetic acid

2-(dimethylamino)-2-(2-fluorophenyl)acetic acid (PubChem CID 22016552) has the molecular formula C10H12FNO2 and a molecular weight of 197.21 g/mol. Its IUPAC name is 2-(dimethylamino)-2-(2-fluorophenyl)acetic acid.

Molecular Properties

Compound Name2-(dimethylamino)-2-(2-fluorophenyl)acetic acid
PubChem CID22016552
Molecular FormulaC10H12FNO2
Molecular Weight197.21 g/mol
Exact Mass197.09
IUPAC Name2-(dimethylamino)-2-(2-fluorophenyl)acetic acid
SMILESCN(C)C(C(=O)O)c1ccccc1F
InChIInChI=1S/C10H12FNO2/c1-12(2)9(10(13)14)7-5-3-4-6-8(7)11/h3-6,9H,1-2H3,(H,13,14)
InChIKeyJCWUTEGWHABTTF-UHFFFAOYSA-N
XLogP1.51
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-(2-fluorophenyl)acetic acid?
The IUPAC name of 2-(dimethylamino)-2-(2-fluorophenyl)acetic acid (CID 22016552) is 2-(dimethylamino)-2-(2-fluorophenyl)acetic acid.
What is the SMILES notation for 2-(dimethylamino)-2-(2-fluorophenyl)acetic acid?
The canonical SMILES for 2-(dimethylamino)-2-(2-fluorophenyl)acetic acid is CN(C)C(C(=O)O)c1ccccc1F.
What is the InChIKey of 2-(dimethylamino)-2-(2-fluorophenyl)acetic acid?
The InChIKey is JCWUTEGWHABTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2/c1-12(2)9(10(13)14)7-5-3-4-6-8(7)11/h3-6,9H,1-2H3,(H,13,14).
What are the key properties of 2-(dimethylamino)-2-(2-fluorophenyl)acetic acid?
2-(dimethylamino)-2-(2-fluorophenyl)acetic acid has a molecular weight of 197.21 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-(2-fluorophenyl)acetic acid is sourced from PubChem (CID 22016552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).