2-(2-chloro-6-fluorophenyl)-2-(ethylamino)acetic acid

C10H11ClFNO2 — CID 43753950

IUPAC2-(2-chloro-6-fluorophenyl)-2-(ethylamino)acetic acid
SMILESCCNC(C(=O)O)c1c(F)cccc1Cl
InChIInChI=1S/C10H11ClFNO2/c1-2-13-9(10(14)15)8-6(11)4-3-5-7(8)12/h3-5,9,13H,2H2,1H3,(H,14,15)
InChIKeyFKTNMLQJFYPJGN-UHFFFAOYSA-N
MW231.65 g/mol
LogP2.21
Rot. Bonds4

About 2-(2-chloro-6-fluorophenyl)-2-(ethylamino)acetic acid

2-(2-chloro-6-fluorophenyl)-2-(ethylamino)acetic acid (PubChem CID 43753950) has the molecular formula C10H11ClFNO2 and a molecular weight of 231.65 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-2-(ethylamino)acetic acid.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-2-(ethylamino)acetic acid
PubChem CID43753950
Molecular FormulaC10H11ClFNO2
Molecular Weight231.65 g/mol
Exact Mass231.05
IUPAC Name2-(2-chloro-6-fluorophenyl)-2-(ethylamino)acetic acid
SMILESCCNC(C(=O)O)c1c(F)cccc1Cl
InChIInChI=1S/C10H11ClFNO2/c1-2-13-9(10(14)15)8-6(11)4-3-5-7(8)12/h3-5,9,13H,2H2,1H3,(H,14,15)
InChIKeyFKTNMLQJFYPJGN-UHFFFAOYSA-N
XLogP2.21
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.65
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-2-(ethylamino)acetic acid?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-2-(ethylamino)acetic acid (CID 43753950) is 2-(2-chloro-6-fluorophenyl)-2-(ethylamino)acetic acid.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-2-(ethylamino)acetic acid?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-2-(ethylamino)acetic acid is CCNC(C(=O)O)c1c(F)cccc1Cl.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-2-(ethylamino)acetic acid?
The InChIKey is FKTNMLQJFYPJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO2/c1-2-13-9(10(14)15)8-6(11)4-3-5-7(8)12/h3-5,9,13H,2H2,1H3,(H,14,15).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-2-(ethylamino)acetic acid?
2-(2-chloro-6-fluorophenyl)-2-(ethylamino)acetic acid has a molecular weight of 231.65 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-2-(ethylamino)acetic acid is sourced from PubChem (CID 43753950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).