2-[4-(1-fluoroethyl)-2-hydroxyanilino]acetic acid

C10H12FNO3 — CID 115028181

IUPAC2-[4-(1-fluoroethyl)-2-hydroxyanilino]acetic acid
SMILESCC(F)c1ccc(NCC(=O)O)c(O)c1
InChIInChI=1S/C10H12FNO3/c1-6(11)7-2-3-8(9(13)4-7)12-5-10(14)15/h2-4,6,12-13H,5H2,1H3,(H,14,15)
InChIKeyNBSOXYYVZQSCEJ-UHFFFAOYSA-N
MW213.21 g/mol
LogP1.92
Rot. Bonds4

About 2-[4-(1-fluoroethyl)-2-hydroxyanilino]acetic acid

2-[4-(1-fluoroethyl)-2-hydroxyanilino]acetic acid (PubChem CID 115028181) has the molecular formula C10H12FNO3 and a molecular weight of 213.21 g/mol. Its IUPAC name is 2-[4-(1-fluoroethyl)-2-hydroxyanilino]acetic acid.

Molecular Properties

Compound Name2-[4-(1-fluoroethyl)-2-hydroxyanilino]acetic acid
PubChem CID115028181
Molecular FormulaC10H12FNO3
Molecular Weight213.21 g/mol
Exact Mass213.08
IUPAC Name2-[4-(1-fluoroethyl)-2-hydroxyanilino]acetic acid
SMILESCC(F)c1ccc(NCC(=O)O)c(O)c1
InChIInChI=1S/C10H12FNO3/c1-6(11)7-2-3-8(9(13)4-7)12-5-10(14)15/h2-4,6,12-13H,5H2,1H3,(H,14,15)
InChIKeyNBSOXYYVZQSCEJ-UHFFFAOYSA-N
XLogP1.92
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-[4-(fluoromethyl)-2-hydroxyanilino]acetic acid
CID 115021601
3-[2-bromo-4-(1-fluoroethyl)anilino]propanoic acid
CID 115052613
2-[5-(1-fluoroethyl)-2-hydroxyphenyl]-2-methylpropanoic acid
CID 84690452
5-(difluoromethyl)-2-hydrazinylphenol
CID 118835155
2-[4-(2-fluoropropan-2-yl)-2-methylanilino]acetic acid
CID 115034955
4-(1-fluoroethyl)-2-[(hydroxyamino)methyl]phenol
CID 117280151
2-(4-fluoro-2-iodoanilino)acetic acid
CID 79769086
2-(2-amino-4-methylanilino)acetic acid
CID 62253680
2-[2-fluoro-4-(methylcarbamoyl)anilino]acetic acid
CID 86683687
3-amino-3-[3-(1-fluoroethyl)-4-hydroxyphenyl]propanoic acid
CID 84691068
4-(carboxymethylamino)-2-hydroxy-3-methylbenzoic acid
CID 90919313
2-[2-fluoro-4-(fluoromethyl)anilino]acetic acid
CID 115022150

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-fluoroethyl)-2-hydroxyanilino]acetic acid?
The IUPAC name of 2-[4-(1-fluoroethyl)-2-hydroxyanilino]acetic acid (CID 115028181) is 2-[4-(1-fluoroethyl)-2-hydroxyanilino]acetic acid.
What is the SMILES notation for 2-[4-(1-fluoroethyl)-2-hydroxyanilino]acetic acid?
The canonical SMILES for 2-[4-(1-fluoroethyl)-2-hydroxyanilino]acetic acid is CC(F)c1ccc(NCC(=O)O)c(O)c1.
What is the InChIKey of 2-[4-(1-fluoroethyl)-2-hydroxyanilino]acetic acid?
The InChIKey is NBSOXYYVZQSCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO3/c1-6(11)7-2-3-8(9(13)4-7)12-5-10(14)15/h2-4,6,12-13H,5H2,1H3,(H,14,15).
What are the key properties of 2-[4-(1-fluoroethyl)-2-hydroxyanilino]acetic acid?
2-[4-(1-fluoroethyl)-2-hydroxyanilino]acetic acid has a molecular weight of 213.21 g/mol, XLogP of 1.92, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-fluoroethyl)-2-hydroxyanilino]acetic acid is sourced from PubChem (CID 115028181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).