3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanoic acid

C11H11ClF3NO3 — CID 66941471

IUPAC3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(Cc1cc(Cl)c(N)c(C(F)(F)F)c1)C(=O)O
InChIInChI=1S/C11H11ClF3NO3/c1-10(19,9(17)18)4-5-2-6(11(13,14)15)8(16)7(12)3-5/h2-3,19H,4,16H2,1H3,(H,17,18)
InChIKeyZVROPQGQFWOZQU-UHFFFAOYSA-N
MW297.66 g/mol
LogP2.32
Rot. Bonds3

About 3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanoic acid

3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanoic acid (PubChem CID 66941471) has the molecular formula C11H11ClF3NO3 and a molecular weight of 297.66 g/mol. Its IUPAC name is 3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanoic acid
PubChem CID66941471
Molecular FormulaC11H11ClF3NO3
Molecular Weight297.66 g/mol
Exact Mass297.04
IUPAC Name3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(Cc1cc(Cl)c(N)c(C(F)(F)F)c1)C(=O)O
InChIInChI=1S/C11H11ClF3NO3/c1-10(19,9(17)18)4-5-2-6(11(13,14)15)8(16)7(12)3-5/h2-3,19H,4,16H2,1H3,(H,17,18)
InChIKeyZVROPQGQFWOZQU-UHFFFAOYSA-N
XLogP2.32
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.66
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanoic acid (CID 66941471) is 3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanoic acid is CC(O)(Cc1cc(Cl)c(N)c(C(F)(F)F)c1)C(=O)O.
What is the InChIKey of 3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanoic acid?
The InChIKey is ZVROPQGQFWOZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3NO3/c1-10(19,9(17)18)4-5-2-6(11(13,14)15)8(16)7(12)3-5/h2-3,19H,4,16H2,1H3,(H,17,18).
What are the key properties of 3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanoic acid?
3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanoic acid has a molecular weight of 297.66 g/mol, XLogP of 2.32, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 66941471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).