2-amino-2-(3,5-dichloro-2-fluorophenyl)acetic acid

C8H6Cl2FNO2 — CID 77129186

IUPAC2-amino-2-(3,5-dichloro-2-fluorophenyl)acetic acid
SMILESNC(C(=O)O)c1cc(Cl)cc(Cl)c1F
InChIInChI=1S/C8H6Cl2FNO2/c9-3-1-4(7(12)8(13)14)6(11)5(10)2-3/h1-2,7H,12H2,(H,13,14)
InChIKeyUHHPNSNAJOBROO-UHFFFAOYSA-N
MW238.04 g/mol
LogP2.22
Rot. Bonds2

About 2-amino-2-(3,5-dichloro-2-fluorophenyl)acetic acid

2-amino-2-(3,5-dichloro-2-fluorophenyl)acetic acid (PubChem CID 77129186) has the molecular formula C8H6Cl2FNO2 and a molecular weight of 238.04 g/mol. Its IUPAC name is 2-amino-2-(3,5-dichloro-2-fluorophenyl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(3,5-dichloro-2-fluorophenyl)acetic acid
PubChem CID77129186
Molecular FormulaC8H6Cl2FNO2
Molecular Weight238.04 g/mol
Exact Mass236.98
IUPAC Name2-amino-2-(3,5-dichloro-2-fluorophenyl)acetic acid
SMILESNC(C(=O)O)c1cc(Cl)cc(Cl)c1F
InChIInChI=1S/C8H6Cl2FNO2/c9-3-1-4(7(12)8(13)14)6(11)5(10)2-3/h1-2,7H,12H2,(H,13,14)
InChIKeyUHHPNSNAJOBROO-UHFFFAOYSA-N
XLogP2.22
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.04
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-amino-2-(5-chloro-2,3-difluorophenyl)acetic acid
CID 84788280
2-amino-2-(3-chloro-2-fluorophenyl)acetic acid;hydrochloride
CID 175479963
(2R)-2-amino-2-(2,5-dichlorophenyl)acetic acid;hydrochloride
CID 162344521
(2S)-2-amino-2-(2-chloro-4-fluorophenyl)acetic acid
CID 66510702
1-(3,5-dichloro-2-fluorophenyl)ethane-1,2-diamine
CID 77131124
(2S)-2-amino-2-(2,4-dichloro-6-hydroxyphenyl)acetic acid
CID 66512891
2-amino-2-(4-chloro-5-fluoro-2-hydroxyphenyl)acetic acid
CID 77128675
2-amino-2-(5-chloro-3-fluoro-2,4-dimethoxyphenyl)acetic acid
CID 117413952
2-amino-2-(5-chloro-2-methylsulfanylphenyl)acetic acid
CID 84695213
2-amino-2-(3-bromo-5-chloro-4-fluorophenyl)acetic acid
CID 117454067
2-amino-2-(4-chloro-3-fluoro-2-methylphenyl)acetic acid
CID 84785718
1,5-dichloro-2-fluoro-3-propan-2-ylbenzene
CID 118361843

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3,5-dichloro-2-fluorophenyl)acetic acid?
The IUPAC name of 2-amino-2-(3,5-dichloro-2-fluorophenyl)acetic acid (CID 77129186) is 2-amino-2-(3,5-dichloro-2-fluorophenyl)acetic acid.
What is the SMILES notation for 2-amino-2-(3,5-dichloro-2-fluorophenyl)acetic acid?
The canonical SMILES for 2-amino-2-(3,5-dichloro-2-fluorophenyl)acetic acid is NC(C(=O)O)c1cc(Cl)cc(Cl)c1F.
What is the InChIKey of 2-amino-2-(3,5-dichloro-2-fluorophenyl)acetic acid?
The InChIKey is UHHPNSNAJOBROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2FNO2/c9-3-1-4(7(12)8(13)14)6(11)5(10)2-3/h1-2,7H,12H2,(H,13,14).
What are the key properties of 2-amino-2-(3,5-dichloro-2-fluorophenyl)acetic acid?
2-amino-2-(3,5-dichloro-2-fluorophenyl)acetic acid has a molecular weight of 238.04 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3,5-dichloro-2-fluorophenyl)acetic acid is sourced from PubChem (CID 77129186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).