2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]acetic acid

C10H10Cl2FNO2 — CID 43545181

IUPAC2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]acetic acid
SMILESCC(NCC(=O)O)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C10H10Cl2FNO2/c1-5(14-4-8(15)16)9-6(11)2-3-7(13)10(9)12/h2-3,5,14H,4H2,1H3,(H,15,16)
InChIKeyDHZVIVDOLAGLIX-UHFFFAOYSA-N
MW266.10 g/mol
LogP2.87
Rot. Bonds4

About 2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]acetic acid

2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]acetic acid (PubChem CID 43545181) has the molecular formula C10H10Cl2FNO2 and a molecular weight of 266.10 g/mol. Its IUPAC name is 2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]acetic acid.

Molecular Properties

Compound Name2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]acetic acid
PubChem CID43545181
Molecular FormulaC10H10Cl2FNO2
Molecular Weight266.10 g/mol
Exact Mass265.01
IUPAC Name2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]acetic acid
SMILESCC(NCC(=O)O)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C10H10Cl2FNO2/c1-5(14-4-8(15)16)9-6(11)2-3-7(13)10(9)12/h2-3,5,14H,4H2,1H3,(H,15,16)
InChIKeyDHZVIVDOLAGLIX-UHFFFAOYSA-N
XLogP2.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.10
LogP ≤ 52.87
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-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]-N-propan-2-ylacetamide
CID 43567768
methyl 2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]acetate
CID 43545015
2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]-N-methylacetamide
CID 43545191
2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]-1-piperidin-1-ylethanone
CID 115709508
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetic acid
CID 81354147
3-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]-N,N-diethylpropanamide
CID 60925290
3-[[1-(2,6-dichloro-3-fluorophenyl)ethylamino]methyl]pentan-3-ol
CID 65105547
(2S)-1-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]-3-methoxypropan-2-ol
CID 122131753
ethyl 4-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]butanoate
CID 64578328
N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2,2-diethoxyethanamine
CID 79548563
N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-3-methylsulfinylpropan-1-amine
CID 113261722
N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-3-methylsulfinylbutan-1-amine
CID 115894601

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]acetic acid?
The IUPAC name of 2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]acetic acid (CID 43545181) is 2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]acetic acid.
What is the SMILES notation for 2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]acetic acid?
The canonical SMILES for 2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]acetic acid is CC(NCC(=O)O)c1c(Cl)ccc(F)c1Cl.
What is the InChIKey of 2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]acetic acid?
The InChIKey is DHZVIVDOLAGLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2FNO2/c1-5(14-4-8(15)16)9-6(11)2-3-7(13)10(9)12/h2-3,5,14H,4H2,1H3,(H,15,16).
What are the key properties of 2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]acetic acid?
2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]acetic acid has a molecular weight of 266.10 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]acetic acid is sourced from PubChem (CID 43545181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).