2-ethyl-2-(3-fluoroanilino)butanoic acid

C12H16FNO2 — CID 60993028

IUPAC2-ethyl-2-(3-fluoroanilino)butanoic acid
SMILESCCC(CC)(Nc1cccc(F)c1)C(=O)O
InChIInChI=1S/C12H16FNO2/c1-3-12(4-2,11(15)16)14-10-7-5-6-9(13)8-10/h5-8,14H,3-4H2,1-2H3,(H,15,16)
InChIKeyRHVPISRGTFGVOR-UHFFFAOYSA-N
MW225.26 g/mol
LogP2.88
Rot. Bonds5

About 2-ethyl-2-(3-fluoroanilino)butanoic acid

2-ethyl-2-(3-fluoroanilino)butanoic acid (PubChem CID 60993028) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is 2-ethyl-2-(3-fluoroanilino)butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-(3-fluoroanilino)butanoic acid
PubChem CID60993028
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name2-ethyl-2-(3-fluoroanilino)butanoic acid
SMILESCCC(CC)(Nc1cccc(F)c1)C(=O)O
InChIInChI=1S/C12H16FNO2/c1-3-12(4-2,11(15)16)14-10-7-5-6-9(13)8-10/h5-8,14H,3-4H2,1-2H3,(H,15,16)
InChIKeyRHVPISRGTFGVOR-UHFFFAOYSA-N
XLogP2.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluoroanilino)-4-methyl-2-(2-methylpropyl)pentanoic acid
CID 114868131
2-(3-fluoroanilino)-2-(4-fluorophenyl)propanoic acid
CID 60994028
2-(3-fluoroanilino)-2-phenylbutan-1-ol
CID 61048101
2-[[2-(3-fluoroanilino)-2-oxoethyl]amino]-2-methylbutanoic acid
CID 79791972
2-ethyl-2-(3-fluoro-5-methylanilino)hexanoic acid
CID 79050285
2-(2-chlorophenyl)-2-(3-fluoroanilino)propanoic acid
CID 60992738
2-(3-fluoroanilino)-2-(4-methylsulfanylphenyl)propanoic acid
CID 60992748
ethyl 2-(3-fluoroanilino)-2-methylpentanoate
CID 54890603
2-(4-bromoanilino)-2-(3-fluorophenyl)butanoic acid
CID 114871972
2-(aminomethyl)-N-(3-fluorophenyl)-2-methylbutanamide
CID 114290174
2-anilino-2-(3-fluorophenyl)propanoic acid
CID 60991500
(3-fluorophenyl)carbamic acid;hydrochloride
CID 70589934

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(3-fluoroanilino)butanoic acid?
The IUPAC name of 2-ethyl-2-(3-fluoroanilino)butanoic acid (CID 60993028) is 2-ethyl-2-(3-fluoroanilino)butanoic acid.
What is the SMILES notation for 2-ethyl-2-(3-fluoroanilino)butanoic acid?
The canonical SMILES for 2-ethyl-2-(3-fluoroanilino)butanoic acid is CCC(CC)(Nc1cccc(F)c1)C(=O)O.
What is the InChIKey of 2-ethyl-2-(3-fluoroanilino)butanoic acid?
The InChIKey is RHVPISRGTFGVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-3-12(4-2,11(15)16)14-10-7-5-6-9(13)8-10/h5-8,14H,3-4H2,1-2H3,(H,15,16).
What are the key properties of 2-ethyl-2-(3-fluoroanilino)butanoic acid?
2-ethyl-2-(3-fluoroanilino)butanoic acid has a molecular weight of 225.26 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(3-fluoroanilino)butanoic acid is sourced from PubChem (CID 60993028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).