(2R)-3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-hydroxypropanoic acid

C10H9ClF3NO3 — CID 66941893

IUPAC(2R)-3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-hydroxypropanoic acid
SMILESNc1c(Cl)cc(C[C@@H](O)C(=O)O)cc1C(F)(F)F
InChIInChI=1S/C10H9ClF3NO3/c11-6-2-4(3-7(16)9(17)18)1-5(8(6)15)10(12,13)14/h1-2,7,16H,3,15H2,(H,17,18)/t7-/m1/s1
InChIKeyTUWZFVABHUCSDR-SSDOTTSWSA-N
MW283.63 g/mol
LogP1.93
Rot. Bonds3

About (2R)-3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-hydroxypropanoic acid

(2R)-3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-hydroxypropanoic acid (PubChem CID 66941893) has the molecular formula C10H9ClF3NO3 and a molecular weight of 283.63 g/mol. Its IUPAC name is (2R)-3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-hydroxypropanoic acid.

Molecular Properties

Compound Name(2R)-3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-hydroxypropanoic acid
PubChem CID66941893
Molecular FormulaC10H9ClF3NO3
Molecular Weight283.63 g/mol
Exact Mass283.02
IUPAC Name(2R)-3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-hydroxypropanoic acid
SMILESNc1c(Cl)cc(C[C@@H](O)C(=O)O)cc1C(F)(F)F
InChIInChI=1S/C10H9ClF3NO3/c11-6-2-4(3-7(16)9(17)18)1-5(8(6)15)10(12,13)14/h1-2,7,16H,3,15H2,(H,17,18)/t7-/m1/s1
InChIKeyTUWZFVABHUCSDR-SSDOTTSWSA-N
XLogP1.93
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.63
LogP ≤ 51.93
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 (2R)-3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-hydroxypropanoic acid?
The IUPAC name of (2R)-3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-hydroxypropanoic acid (CID 66941893) is (2R)-3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-hydroxypropanoic acid.
What is the SMILES notation for (2R)-3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-hydroxypropanoic acid?
The canonical SMILES for (2R)-3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-hydroxypropanoic acid is Nc1c(Cl)cc(C[C@@H](O)C(=O)O)cc1C(F)(F)F.
What is the InChIKey of (2R)-3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-hydroxypropanoic acid?
The InChIKey is TUWZFVABHUCSDR-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H9ClF3NO3/c11-6-2-4(3-7(16)9(17)18)1-5(8(6)15)10(12,13)14/h1-2,7,16H,3,15H2,(H,17,18)/t7-/m1/s1.
What are the key properties of (2R)-3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-hydroxypropanoic acid?
(2R)-3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-hydroxypropanoic acid has a molecular weight of 283.63 g/mol, XLogP of 1.93, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-hydroxypropanoic acid is sourced from PubChem (CID 66941893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).