2-(diethylamino)-2-(2-fluorophenyl)butanoic acid

C14H20FNO2 — CID 112679517

IUPAC2-(diethylamino)-2-(2-fluorophenyl)butanoic acid
SMILESCCN(CC)C(CC)(C(=O)O)c1ccccc1F
InChIInChI=1S/C14H20FNO2/c1-4-14(13(17)18,16(5-2)6-3)11-9-7-8-10-12(11)15/h7-10H,4-6H2,1-3H3,(H,17,18)
InChIKeyXKKKTSAOVYZBOA-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.86
Rot. Bonds6

About 2-(diethylamino)-2-(2-fluorophenyl)butanoic acid

2-(diethylamino)-2-(2-fluorophenyl)butanoic acid (PubChem CID 112679517) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-(diethylamino)-2-(2-fluorophenyl)butanoic acid.

Molecular Properties

Compound Name2-(diethylamino)-2-(2-fluorophenyl)butanoic acid
PubChem CID112679517
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name2-(diethylamino)-2-(2-fluorophenyl)butanoic acid
SMILESCCN(CC)C(CC)(C(=O)O)c1ccccc1F
InChIInChI=1S/C14H20FNO2/c1-4-14(13(17)18,16(5-2)6-3)11-9-7-8-10-12(11)15/h7-10H,4-6H2,1-3H3,(H,17,18)
InChIKeyXKKKTSAOVYZBOA-UHFFFAOYSA-N
XLogP2.86
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(diethylamino)-2-(2,6-difluorophenyl)propanoic acid
CID 43803617
(2S)-2-(2-fluorophenyl)-2-hydroxypropanoic acid
CID 55255014
1,1-bis(2-fluorophenyl)propan-1-ol
CID 112679425
2,2-difluoro-2-(2-fluorophenyl)acetic acid
CID 62492425
sodium;2-(2-fluorophenyl)-2-methylpropanoic acid;hydride
CID 173208060
pentane;2,3,3,3-tetrafluoro-2-(2-fluorophenyl)propanoic acid
CID 175181509
4-amino-3-ethyl-3-(2-fluorophenyl)hexanoic acid
CID 112680317
methyl 2-anilino-2-(2-fluorophenyl)butanoate
CID 115994470
2-(dichloroamino)-2-phenylbutanoic acid
CID 87554429
2-[acetyl(ethyl)amino]-2-phenylbutanoic acid
CID 63701693
[1-(2-fluorophenyl)-1-(methoxymethoxy)propyl]-propan-2-ylcarbamic acid
CID 135373909
2-(2-chlorophenyl)-2-(diethylamino)propanoic acid
CID 43803614

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-2-(2-fluorophenyl)butanoic acid?
The IUPAC name of 2-(diethylamino)-2-(2-fluorophenyl)butanoic acid (CID 112679517) is 2-(diethylamino)-2-(2-fluorophenyl)butanoic acid.
What is the SMILES notation for 2-(diethylamino)-2-(2-fluorophenyl)butanoic acid?
The canonical SMILES for 2-(diethylamino)-2-(2-fluorophenyl)butanoic acid is CCN(CC)C(CC)(C(=O)O)c1ccccc1F.
What is the InChIKey of 2-(diethylamino)-2-(2-fluorophenyl)butanoic acid?
The InChIKey is XKKKTSAOVYZBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-4-14(13(17)18,16(5-2)6-3)11-9-7-8-10-12(11)15/h7-10H,4-6H2,1-3H3,(H,17,18).
What are the key properties of 2-(diethylamino)-2-(2-fluorophenyl)butanoic acid?
2-(diethylamino)-2-(2-fluorophenyl)butanoic acid has a molecular weight of 253.32 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-2-(2-fluorophenyl)butanoic acid is sourced from PubChem (CID 112679517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).