2-(diethylamino)-2-[4-(difluoromethyl)phenyl]acetic acid

C13H17F2NO2 — CID 115525080

IUPAC2-(diethylamino)-2-[4-(difluoromethyl)phenyl]acetic acid
SMILESCCN(CC)C(C(=O)O)c1ccc(C(F)F)cc1
InChIInChI=1S/C13H17F2NO2/c1-3-16(4-2)11(13(17)18)9-5-7-10(8-6-9)12(14)15/h5-8,11-12H,3-4H2,1-2H3,(H,17,18)
InChIKeyDIJDRUKTQWUICF-UHFFFAOYSA-N
MW257.28 g/mol
LogP3.09
Rot. Bonds6

About 2-(diethylamino)-2-[4-(difluoromethyl)phenyl]acetic acid

2-(diethylamino)-2-[4-(difluoromethyl)phenyl]acetic acid (PubChem CID 115525080) has the molecular formula C13H17F2NO2 and a molecular weight of 257.28 g/mol. Its IUPAC name is 2-(diethylamino)-2-[4-(difluoromethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-(diethylamino)-2-[4-(difluoromethyl)phenyl]acetic acid
PubChem CID115525080
Molecular FormulaC13H17F2NO2
Molecular Weight257.28 g/mol
Exact Mass257.12
IUPAC Name2-(diethylamino)-2-[4-(difluoromethyl)phenyl]acetic acid
SMILESCCN(CC)C(C(=O)O)c1ccc(C(F)F)cc1
InChIInChI=1S/C13H17F2NO2/c1-3-16(4-2)11(13(17)18)9-5-7-10(8-6-9)12(14)15/h5-8,11-12H,3-4H2,1-2H3,(H,17,18)
InChIKeyDIJDRUKTQWUICF-UHFFFAOYSA-N
XLogP3.09
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(diethylamino)-2-[4-(difluoromethyl)phenyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-(diethylamino)-2-phenylacetic acid;hydrochloride
CID 66750067
2-[ethyl(2-ethylbutyl)amino]-2-phenylacetic acid
CID 61436697
2-(3-chloro-4-fluorophenyl)-2-(diethylamino)acetic acid
CID 81154831
2-[ethyl(2-hydroxyethyl)amino]-2-(4-ethylphenyl)acetic acid
CID 84748015
2-[ethyl(furan-3-ylmethyl)amino]-2-(4-fluorophenyl)acetic acid
CID 138045782
2-(3,5-dichlorophenyl)-2-(diethylamino)acetic acid
CID 54919956
2-[butyl(ethyl)amino]-2-(4-tert-butylphenyl)acetic acid
CID 84749031
3-[[carboxy-(4-methylsulfanylphenyl)methyl]-ethylamino]propanoic acid
CID 84747020
2-(diethylamino)-2-pyridin-3-ylacetic acid
CID 43803724
2-(dibutylamino)-2-(4-fluorophenyl)acetic acid
CID 82345151
3-[[carboxy-(4-ethoxyphenyl)methyl]-ethylamino]propanoic acid
CID 82345083
2-[butyl(ethyl)amino]-2-(3,4-difluorophenyl)acetic acid
CID 84747042

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-2-[4-(difluoromethyl)phenyl]acetic acid?
The IUPAC name of 2-(diethylamino)-2-[4-(difluoromethyl)phenyl]acetic acid (CID 115525080) is 2-(diethylamino)-2-[4-(difluoromethyl)phenyl]acetic acid.
What is the SMILES notation for 2-(diethylamino)-2-[4-(difluoromethyl)phenyl]acetic acid?
The canonical SMILES for 2-(diethylamino)-2-[4-(difluoromethyl)phenyl]acetic acid is CCN(CC)C(C(=O)O)c1ccc(C(F)F)cc1.
What is the InChIKey of 2-(diethylamino)-2-[4-(difluoromethyl)phenyl]acetic acid?
The InChIKey is DIJDRUKTQWUICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO2/c1-3-16(4-2)11(13(17)18)9-5-7-10(8-6-9)12(14)15/h5-8,11-12H,3-4H2,1-2H3,(H,17,18).
What are the key properties of 2-(diethylamino)-2-[4-(difluoromethyl)phenyl]acetic acid?
2-(diethylamino)-2-[4-(difluoromethyl)phenyl]acetic acid has a molecular weight of 257.28 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-2-[4-(difluoromethyl)phenyl]acetic acid is sourced from PubChem (CID 115525080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).