2-amino-2-(4-chloro-5-fluoro-2-hydroxyphenyl)acetic acid

C8H7ClFNO3 — CID 77128675

IUPAC2-amino-2-(4-chloro-5-fluoro-2-hydroxyphenyl)acetic acid
SMILESNC(C(=O)O)c1cc(F)c(Cl)cc1O
InChIInChI=1S/C8H7ClFNO3/c9-4-2-6(12)3(1-5(4)10)7(11)8(13)14/h1-2,7,12H,11H2,(H,13,14)
InChIKeyFQMDNSQAANDHPQ-UHFFFAOYSA-N
MW219.60 g/mol
LogP1.27
Rot. Bonds2

About 2-amino-2-(4-chloro-5-fluoro-2-hydroxyphenyl)acetic acid

2-amino-2-(4-chloro-5-fluoro-2-hydroxyphenyl)acetic acid (PubChem CID 77128675) has the molecular formula C8H7ClFNO3 and a molecular weight of 219.60 g/mol. Its IUPAC name is 2-amino-2-(4-chloro-5-fluoro-2-hydroxyphenyl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(4-chloro-5-fluoro-2-hydroxyphenyl)acetic acid
PubChem CID77128675
Molecular FormulaC8H7ClFNO3
Molecular Weight219.60 g/mol
Exact Mass219.01
IUPAC Name2-amino-2-(4-chloro-5-fluoro-2-hydroxyphenyl)acetic acid
SMILESNC(C(=O)O)c1cc(F)c(Cl)cc1O
InChIInChI=1S/C8H7ClFNO3/c9-4-2-6(12)3(1-5(4)10)7(11)8(13)14/h1-2,7,12H,11H2,(H,13,14)
InChIKeyFQMDNSQAANDHPQ-UHFFFAOYSA-N
XLogP1.27
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.60
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-2-(4-chloro-2-hydroxyphenyl)acetic acid
CID 66510595
2-[(1R)-1-amino-2-methylpropyl]-5-chloro-4-fluorophenol
CID 130699208
2-[(1S)-1-amino-2,2,2-trifluoroethyl]-5-chloro-4-fluorophenol
CID 66511183
(2R)-2-amino-2-(2,5-dichlorophenyl)acetic acid;hydrochloride
CID 162344521
2-amino-2-(5-chloro-2,3-difluorophenyl)acetic acid
CID 84788280
2-amino-2-(3,5-dichloro-2-fluorophenyl)acetic acid
CID 77129186
(2S)-2-amino-2-(2-chloro-4-fluorophenyl)acetic acid
CID 66510702
2-amino-2-(5-chloro-2-methylsulfanylphenyl)acetic acid
CID 84695213
2-amino-2-[5-(difluoromethyl)-2-hydroxyphenyl]acetic acid
CID 84682427
2-(1-amino-2-hydroxyethyl)-4-chloro-5-fluorophenol
CID 77129858
2-amino-2-(3-chloro-2-fluoro-5-hydroxy-6-methoxyphenyl)acetic acid
CID 117377798
4-chloro-2-(difluoromethyl)-5-fluorophenol
CID 84667188

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-chloro-5-fluoro-2-hydroxyphenyl)acetic acid?
The IUPAC name of 2-amino-2-(4-chloro-5-fluoro-2-hydroxyphenyl)acetic acid (CID 77128675) is 2-amino-2-(4-chloro-5-fluoro-2-hydroxyphenyl)acetic acid.
What is the SMILES notation for 2-amino-2-(4-chloro-5-fluoro-2-hydroxyphenyl)acetic acid?
The canonical SMILES for 2-amino-2-(4-chloro-5-fluoro-2-hydroxyphenyl)acetic acid is NC(C(=O)O)c1cc(F)c(Cl)cc1O.
What is the InChIKey of 2-amino-2-(4-chloro-5-fluoro-2-hydroxyphenyl)acetic acid?
The InChIKey is FQMDNSQAANDHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClFNO3/c9-4-2-6(12)3(1-5(4)10)7(11)8(13)14/h1-2,7,12H,11H2,(H,13,14).
What are the key properties of 2-amino-2-(4-chloro-5-fluoro-2-hydroxyphenyl)acetic acid?
2-amino-2-(4-chloro-5-fluoro-2-hydroxyphenyl)acetic acid has a molecular weight of 219.60 g/mol, XLogP of 1.27, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-chloro-5-fluoro-2-hydroxyphenyl)acetic acid is sourced from PubChem (CID 77128675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).