(2R)-2-amino-3,3,3-trifluoro-2-(2-fluorophenyl)propanoic acid

C9H7F4NO2 — CID 95298200

IUPAC(2R)-2-amino-3,3,3-trifluoro-2-(2-fluorophenyl)propanoic acid
SMILESN[C@@](C(=O)O)(c1ccccc1F)C(F)(F)F
InChIInChI=1S/C9H7F4NO2/c10-6-4-2-1-3-5(6)8(14,7(15)16)9(11,12)13/h1-4H,14H2,(H,15,16)/t8-/m1/s1
InChIKeyRHJJESUFHXMQBS-MRVPVSSYSA-N
MW237.15 g/mol
LogP1.63
Rot. Bonds2

About (2R)-2-amino-3,3,3-trifluoro-2-(2-fluorophenyl)propanoic acid

(2R)-2-amino-3,3,3-trifluoro-2-(2-fluorophenyl)propanoic acid (PubChem CID 95298200) has the molecular formula C9H7F4NO2 and a molecular weight of 237.15 g/mol. Its IUPAC name is (2R)-2-amino-3,3,3-trifluoro-2-(2-fluorophenyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3,3,3-trifluoro-2-(2-fluorophenyl)propanoic acid
PubChem CID95298200
Molecular FormulaC9H7F4NO2
Molecular Weight237.15 g/mol
Exact Mass237.04
IUPAC Name(2R)-2-amino-3,3,3-trifluoro-2-(2-fluorophenyl)propanoic acid
SMILESN[C@@](C(=O)O)(c1ccccc1F)C(F)(F)F
InChIInChI=1S/C9H7F4NO2/c10-6-4-2-1-3-5(6)8(14,7(15)16)9(11,12)13/h1-4H,14H2,(H,15,16)/t8-/m1/s1
InChIKeyRHJJESUFHXMQBS-MRVPVSSYSA-N
XLogP1.63
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.15
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3,3,3-trifluoro-2-(2-fluorophenyl)propanoic acid?
The IUPAC name of (2R)-2-amino-3,3,3-trifluoro-2-(2-fluorophenyl)propanoic acid (CID 95298200) is (2R)-2-amino-3,3,3-trifluoro-2-(2-fluorophenyl)propanoic acid.
What is the SMILES notation for (2R)-2-amino-3,3,3-trifluoro-2-(2-fluorophenyl)propanoic acid?
The canonical SMILES for (2R)-2-amino-3,3,3-trifluoro-2-(2-fluorophenyl)propanoic acid is N[C@@](C(=O)O)(c1ccccc1F)C(F)(F)F.
What is the InChIKey of (2R)-2-amino-3,3,3-trifluoro-2-(2-fluorophenyl)propanoic acid?
The InChIKey is RHJJESUFHXMQBS-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H7F4NO2/c10-6-4-2-1-3-5(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-3,3,3-trifluoro-2-(2-fluorophenyl)propanoic acid?
(2R)-2-amino-3,3,3-trifluoro-2-(2-fluorophenyl)propanoic acid has a molecular weight of 237.15 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3,3,3-trifluoro-2-(2-fluorophenyl)propanoic acid is sourced from PubChem (CID 95298200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).