2-(2-fluoroanilino)-2,3-dimethylbutanoic acid

C12H16FNO2 — CID 62487925

IUPAC2-(2-fluoroanilino)-2,3-dimethylbutanoic acid
SMILESCC(C)C(C)(Nc1ccccc1F)C(=O)O
InChIInChI=1S/C12H16FNO2/c1-8(2)12(3,11(15)16)14-10-7-5-4-6-9(10)13/h4-8,14H,1-3H3,(H,15,16)
InChIKeyKQTGMFPMDSOZQR-UHFFFAOYSA-N
MW225.26 g/mol
LogP2.74
Rot. Bonds4

About 2-(2-fluoroanilino)-2,3-dimethylbutanoic acid

2-(2-fluoroanilino)-2,3-dimethylbutanoic acid (PubChem CID 62487925) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is 2-(2-fluoroanilino)-2,3-dimethylbutanoic acid.

Molecular Properties

Compound Name2-(2-fluoroanilino)-2,3-dimethylbutanoic acid
PubChem CID62487925
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name2-(2-fluoroanilino)-2,3-dimethylbutanoic acid
SMILESCC(C)C(C)(Nc1ccccc1F)C(=O)O
InChIInChI=1S/C12H16FNO2/c1-8(2)12(3,11(15)16)14-10-7-5-4-6-9(10)13/h4-8,14H,1-3H3,(H,15,16)
InChIKeyKQTGMFPMDSOZQR-UHFFFAOYSA-N
XLogP2.74
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-amino-3-fluoroanilino)-2,3-dimethylbutanamide
CID 112737973
1-(2-fluoroanilino)-2,3-dimethylbutan-2-ol
CID 114492664
2-(3,4-difluorophenyl)-2-(2-fluoroanilino)propanoic acid
CID 60994733
2-(3,4-dimethylphenyl)-2-(2-fluoroanilino)propanoic acid
CID 60993618
(2S)-2,3-dimethyl-2-[2-[(2,4,6-trimethylanilino)methyl]anilino]butanoic acid
CID 69174341
2-(3-bromophenyl)-2-(2-fluoroanilino)propanoic acid
CID 60994863
2-(5-bromo-2-fluorophenyl)-2-(2-fluoroanilino)propanoic acid
CID 82955939
2-(2-fluoroanilino)-2-(2-fluorophenyl)propanamide
CID 60991023
1-N-(2-fluorophenyl)-2-methylpropane-1,2-diamine
CID 73013426
2-bromo-1-(2-fluoroanilino)-2-methylpropan-1-ol
CID 139471205
N-(2-fluorophenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide
CID 111750362
2-(2-fluoroanilino)-2,5-dimethylhexan-1-ol
CID 61049721

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroanilino)-2,3-dimethylbutanoic acid?
The IUPAC name of 2-(2-fluoroanilino)-2,3-dimethylbutanoic acid (CID 62487925) is 2-(2-fluoroanilino)-2,3-dimethylbutanoic acid.
What is the SMILES notation for 2-(2-fluoroanilino)-2,3-dimethylbutanoic acid?
The canonical SMILES for 2-(2-fluoroanilino)-2,3-dimethylbutanoic acid is CC(C)C(C)(Nc1ccccc1F)C(=O)O.
What is the InChIKey of 2-(2-fluoroanilino)-2,3-dimethylbutanoic acid?
The InChIKey is KQTGMFPMDSOZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-8(2)12(3,11(15)16)14-10-7-5-4-6-9(10)13/h4-8,14H,1-3H3,(H,15,16).
What are the key properties of 2-(2-fluoroanilino)-2,3-dimethylbutanoic acid?
2-(2-fluoroanilino)-2,3-dimethylbutanoic acid has a molecular weight of 225.26 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroanilino)-2,3-dimethylbutanoic acid is sourced from PubChem (CID 62487925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).