(2R)-2-amino-2-(4-chlorophenyl)-3,3,3-trifluoropropanoic acid

C9H7ClF3NO2 — CID 131872455

IUPAC(2R)-2-amino-2-(4-chlorophenyl)-3,3,3-trifluoropropanoic acid
SMILESN[C@@](C(=O)O)(c1ccc(Cl)cc1)C(F)(F)F
InChIInChI=1S/C9H7ClF3NO2/c10-6-3-1-5(2-4-6)8(14,7(15)16)9(11,12)13/h1-4H,14H2,(H,15,16)/t8-/m1/s1
InChIKeyJXBAPZFXMKLAJK-MRVPVSSYSA-N
MW253.61 g/mol
LogP2.14
Rot. Bonds2

About (2R)-2-amino-2-(4-chlorophenyl)-3,3,3-trifluoropropanoic acid

(2R)-2-amino-2-(4-chlorophenyl)-3,3,3-trifluoropropanoic acid (PubChem CID 131872455) has the molecular formula C9H7ClF3NO2 and a molecular weight of 253.61 g/mol. Its IUPAC name is (2R)-2-amino-2-(4-chlorophenyl)-3,3,3-trifluoropropanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-2-(4-chlorophenyl)-3,3,3-trifluoropropanoic acid
PubChem CID131872455
Molecular FormulaC9H7ClF3NO2
Molecular Weight253.61 g/mol
Exact Mass253.01
IUPAC Name(2R)-2-amino-2-(4-chlorophenyl)-3,3,3-trifluoropropanoic acid
SMILESN[C@@](C(=O)O)(c1ccc(Cl)cc1)C(F)(F)F
InChIInChI=1S/C9H7ClF3NO2/c10-6-3-1-5(2-4-6)8(14,7(15)16)9(11,12)13/h1-4H,14H2,(H,15,16)/t8-/m1/s1
InChIKeyJXBAPZFXMKLAJK-MRVPVSSYSA-N
XLogP2.14
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.61
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-2-(4-aminophenyl)-3,3,3-trifluoropropanoic acid
CID 131872483
2-(4-chlorophenyl)-3,3,3-trifluoro-2-methoxypropanoic acid
CID 84738628
(2R)-2-amino-3,3,3-trifluoro-2-(3-hydroxyphenyl)propanoic acid
CID 131872454
2-amino-2-(4-chlorophenyl)-3-fluorobutanoic acid
CID 105490300
(2S)-2-amino-3,3,3-trifluoro-2-(3-fluorophenyl)propanoic acid
CID 95298191
2-amino-2-(2,6-difluoro-3-methylphenyl)-3,3,3-trifluoropropanoic acid
CID 82823247
2-(3-chloro-4-fluorophenyl)-2,2-difluoroacetic acid
CID 39058327
2-amino-3-fluoro-2-(4-fluorophenyl)-3-methylbutanoic acid
CID 105486323
(2R)-2-amino-3,3,3-trifluoro-2-(2-fluorophenyl)propanoic acid
CID 95298200
3-amino-2-(4-chlorophenyl)-2-hydroxy-3-oxopropanoic acid
CID 150243688
2-(4-chlorophenyl)-2-hydroxypropanoic acid
CID 10013044
(3R)-3-(4-chlorophenyl)-3-fluorobutan-2-one
CID 125488677

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(4-chlorophenyl)-3,3,3-trifluoropropanoic acid?
The IUPAC name of (2R)-2-amino-2-(4-chlorophenyl)-3,3,3-trifluoropropanoic acid (CID 131872455) is (2R)-2-amino-2-(4-chlorophenyl)-3,3,3-trifluoropropanoic acid.
What is the SMILES notation for (2R)-2-amino-2-(4-chlorophenyl)-3,3,3-trifluoropropanoic acid?
The canonical SMILES for (2R)-2-amino-2-(4-chlorophenyl)-3,3,3-trifluoropropanoic acid is N[C@@](C(=O)O)(c1ccc(Cl)cc1)C(F)(F)F.
What is the InChIKey of (2R)-2-amino-2-(4-chlorophenyl)-3,3,3-trifluoropropanoic acid?
The InChIKey is JXBAPZFXMKLAJK-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H7ClF3NO2/c10-6-3-1-5(2-4-6)8(14,7(15)16)9(11,12)13/h1-4H,14H2,(H,15,16)/t8-/m1/s1.
What are the key properties of (2R)-2-amino-2-(4-chlorophenyl)-3,3,3-trifluoropropanoic acid?
(2R)-2-amino-2-(4-chlorophenyl)-3,3,3-trifluoropropanoic acid has a molecular weight of 253.61 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(4-chlorophenyl)-3,3,3-trifluoropropanoic acid is sourced from PubChem (CID 131872455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).