2-(diethylamino)-2-(2,4-difluorophenyl)acetic acid

C12H15F2NO2 — CID 43803709

IUPAC2-(diethylamino)-2-(2,4-difluorophenyl)acetic acid
SMILESCCN(CC)C(C(=O)O)c1ccc(F)cc1F
InChIInChI=1S/C12H15F2NO2/c1-3-15(4-2)11(12(16)17)9-6-5-8(13)7-10(9)14/h5-7,11H,3-4H2,1-2H3,(H,16,17)
InChIKeyJGZDWZLTLOQNAG-UHFFFAOYSA-N
MW243.25 g/mol
LogP2.43
Rot. Bonds5

About 2-(diethylamino)-2-(2,4-difluorophenyl)acetic acid

2-(diethylamino)-2-(2,4-difluorophenyl)acetic acid (PubChem CID 43803709) has the molecular formula C12H15F2NO2 and a molecular weight of 243.25 g/mol. Its IUPAC name is 2-(diethylamino)-2-(2,4-difluorophenyl)acetic acid.

Molecular Properties

Compound Name2-(diethylamino)-2-(2,4-difluorophenyl)acetic acid
PubChem CID43803709
Molecular FormulaC12H15F2NO2
Molecular Weight243.25 g/mol
Exact Mass243.11
IUPAC Name2-(diethylamino)-2-(2,4-difluorophenyl)acetic acid
SMILESCCN(CC)C(C(=O)O)c1ccc(F)cc1F
InChIInChI=1S/C12H15F2NO2/c1-3-15(4-2)11(12(16)17)9-6-5-8(13)7-10(9)14/h5-7,11H,3-4H2,1-2H3,(H,16,17)
InChIKeyJGZDWZLTLOQNAG-UHFFFAOYSA-N
XLogP2.43
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.25
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-difluorophenyl)-1-(dimethylamino)propan-2-one
CID 90178952
2-[acetyl(ethyl)amino]-2-(2,5-difluorophenyl)acetic acid
CID 63701423
(2S)-2-(2,4-difluorophenyl)-3-hydroxypropanoic acid
CID 171716727
3-(2,4-difluorophenyl)-2-methylbutanoic acid
CID 79729834
2-(4-chloro-2-fluorophenyl)-2-[ethyl(formyl)amino]acetic acid
CID 114843784
2-(3-chloro-4-fluorophenyl)-2-(diethylamino)acetic acid
CID 81154831
(2R)-2-(2,4-difluorophenyl)-2-(methylamino)acetic acid
CID 93280033
1-(2,4-difluorophenyl)-1-(dimethylamino)-3,3-dimethylbutan-2-one
CID 58533232
2-(3,5-dichlorophenyl)-2-(diethylamino)acetic acid
CID 54919956
2-(diethylamino)-2-[4-(difluoromethyl)phenyl]acetic acid
CID 115525080
2-(2,4-difluorophenyl)butanal
CID 83828727
ethyl 2-(2,4-difluorophenyl)-3-oxopropanoate
CID 21200441

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-2-(2,4-difluorophenyl)acetic acid?
The IUPAC name of 2-(diethylamino)-2-(2,4-difluorophenyl)acetic acid (CID 43803709) is 2-(diethylamino)-2-(2,4-difluorophenyl)acetic acid.
What is the SMILES notation for 2-(diethylamino)-2-(2,4-difluorophenyl)acetic acid?
The canonical SMILES for 2-(diethylamino)-2-(2,4-difluorophenyl)acetic acid is CCN(CC)C(C(=O)O)c1ccc(F)cc1F.
What is the InChIKey of 2-(diethylamino)-2-(2,4-difluorophenyl)acetic acid?
The InChIKey is JGZDWZLTLOQNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO2/c1-3-15(4-2)11(12(16)17)9-6-5-8(13)7-10(9)14/h5-7,11H,3-4H2,1-2H3,(H,16,17).
What are the key properties of 2-(diethylamino)-2-(2,4-difluorophenyl)acetic acid?
2-(diethylamino)-2-(2,4-difluorophenyl)acetic acid has a molecular weight of 243.25 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-2-(2,4-difluorophenyl)acetic acid is sourced from PubChem (CID 43803709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).