2-amino-2-(3-chloro-4-fluorophenyl)acetic acid

C8H7ClFNO2 — CID 2773727

IUPAC2-amino-2-(3-chloro-4-fluorophenyl)acetic acid
SMILESNC(C(=O)O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C8H7ClFNO2/c9-5-3-4(1-2-6(5)10)7(11)8(12)13/h1-3,7H,11H2,(H,12,13)
InChIKeyDVSWHHQDQJPPBH-UHFFFAOYSA-N
MW203.60 g/mol
LogP1.56
Rot. Bonds2

About 2-amino-2-(3-chloro-4-fluorophenyl)acetic acid

2-amino-2-(3-chloro-4-fluorophenyl)acetic acid (PubChem CID 2773727) has the molecular formula C8H7ClFNO2 and a molecular weight of 203.60 g/mol. Its IUPAC name is 2-amino-2-(3-chloro-4-fluorophenyl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(3-chloro-4-fluorophenyl)acetic acid
PubChem CID2773727
Molecular FormulaC8H7ClFNO2
Molecular Weight203.60 g/mol
Exact Mass203.01
IUPAC Name2-amino-2-(3-chloro-4-fluorophenyl)acetic acid
SMILESNC(C(=O)O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C8H7ClFNO2/c9-5-3-4(1-2-6(5)10)7(11)8(12)13/h1-3,7H,11H2,(H,12,13)
InChIKeyDVSWHHQDQJPPBH-UHFFFAOYSA-N
XLogP1.56
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.60
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3-chloro-4-fluorophenyl)acetic acid?
The IUPAC name of 2-amino-2-(3-chloro-4-fluorophenyl)acetic acid (CID 2773727) is 2-amino-2-(3-chloro-4-fluorophenyl)acetic acid.
What is the SMILES notation for 2-amino-2-(3-chloro-4-fluorophenyl)acetic acid?
The canonical SMILES for 2-amino-2-(3-chloro-4-fluorophenyl)acetic acid is NC(C(=O)O)c1ccc(F)c(Cl)c1.
What is the InChIKey of 2-amino-2-(3-chloro-4-fluorophenyl)acetic acid?
The InChIKey is DVSWHHQDQJPPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClFNO2/c9-5-3-4(1-2-6(5)10)7(11)8(12)13/h1-3,7H,11H2,(H,12,13).
What are the key properties of 2-amino-2-(3-chloro-4-fluorophenyl)acetic acid?
2-amino-2-(3-chloro-4-fluorophenyl)acetic acid has a molecular weight of 203.60 g/mol, XLogP of 1.56, 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-chloro-4-fluorophenyl)acetic acid is sourced from PubChem (CID 2773727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).