2-[4-(fluoromethyl)-2-hydroxyanilino]acetic acid

C9H10FNO3 — CID 115021601

IUPAC2-[4-(fluoromethyl)-2-hydroxyanilino]acetic acid
SMILESO=C(O)CNc1ccc(CF)cc1O
InChIInChI=1S/C9H10FNO3/c10-4-6-1-2-7(8(12)3-6)11-5-9(13)14/h1-3,11-12H,4-5H2,(H,13,14)
InChIKeyAXPOLJYFGKTEMZ-UHFFFAOYSA-N
MW199.18 g/mol
LogP1.36
Rot. Bonds4

About 2-[4-(fluoromethyl)-2-hydroxyanilino]acetic acid

2-[4-(fluoromethyl)-2-hydroxyanilino]acetic acid (PubChem CID 115021601) has the molecular formula C9H10FNO3 and a molecular weight of 199.18 g/mol. Its IUPAC name is 2-[4-(fluoromethyl)-2-hydroxyanilino]acetic acid.

Molecular Properties

Compound Name2-[4-(fluoromethyl)-2-hydroxyanilino]acetic acid
PubChem CID115021601
Molecular FormulaC9H10FNO3
Molecular Weight199.18 g/mol
Exact Mass199.06
IUPAC Name2-[4-(fluoromethyl)-2-hydroxyanilino]acetic acid
SMILESO=C(O)CNc1ccc(CF)cc1O
InChIInChI=1S/C9H10FNO3/c10-4-6-1-2-7(8(12)3-6)11-5-9(13)14/h1-3,11-12H,4-5H2,(H,13,14)
InChIKeyAXPOLJYFGKTEMZ-UHFFFAOYSA-N
XLogP1.36
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.18
LogP ≤ 51.36
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-[2-fluoro-4-(fluoromethyl)anilino]acetic acid
CID 115022150
2-[4-(1-fluoroethyl)-2-hydroxyanilino]acetic acid
CID 115028181
3-[2-fluoro-4-(fluoromethyl)anilino]propanoic acid
CID 115028968
3-[5-(fluoromethyl)-2-hydroxyphenyl]propanoic acid
CID 84668107
4-(fluoromethyl)-2-hydroxybenzenecarbothioic S-acid
CID 87618667
2-(4-fluoro-2-iodoanilino)acetic acid
CID 79769086
2-[(3,4-dihydroxyphenyl)methylamino]acetic acid
CID 43135200
2-[4-(2-fluoropropan-2-yl)-2-methylanilino]acetic acid
CID 115034955
4-(fluoromethyl)-2-hydroxybenzaldehyde
CID 88915997
2-(2-amino-4-methylanilino)acetic acid
CID 62253680
2-(carboxymethylamino)-4-fluorobenzoic acid
CID 19907325
2-(5-bromo-2-fluoroanilino)acetic acid
CID 43555633

Frequently Asked Questions

What is the IUPAC name of 2-[4-(fluoromethyl)-2-hydroxyanilino]acetic acid?
The IUPAC name of 2-[4-(fluoromethyl)-2-hydroxyanilino]acetic acid (CID 115021601) is 2-[4-(fluoromethyl)-2-hydroxyanilino]acetic acid.
What is the SMILES notation for 2-[4-(fluoromethyl)-2-hydroxyanilino]acetic acid?
The canonical SMILES for 2-[4-(fluoromethyl)-2-hydroxyanilino]acetic acid is O=C(O)CNc1ccc(CF)cc1O.
What is the InChIKey of 2-[4-(fluoromethyl)-2-hydroxyanilino]acetic acid?
The InChIKey is AXPOLJYFGKTEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO3/c10-4-6-1-2-7(8(12)3-6)11-5-9(13)14/h1-3,11-12H,4-5H2,(H,13,14).
What are the key properties of 2-[4-(fluoromethyl)-2-hydroxyanilino]acetic acid?
2-[4-(fluoromethyl)-2-hydroxyanilino]acetic acid has a molecular weight of 199.18 g/mol, XLogP of 1.36, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(fluoromethyl)-2-hydroxyanilino]acetic acid is sourced from PubChem (CID 115021601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).