(2S)-2-amino-5,5,5-trifluoro-4-(trifluoromethyl)pentanoic acid

C6H7F6NO2 — CID 7019591

IUPAC(2S)-2-amino-5,5,5-trifluoro-4-(trifluoromethyl)pentanoic acid
SMILESN[C@@H](CC(C(F)(F)F)C(F)(F)F)C(=O)O
InChIInChI=1S/C6H7F6NO2/c7-5(8,9)3(6(10,11)12)1-2(13)4(14)15/h2-3H,1,13H2,(H,14,15)/t2-/m0/s1
InChIKeyMNZLMQYCEWHPPS-REOHCLBHSA-N
MW239.12 g/mol
LogP1.53
Rot. Bonds3

About (2S)-2-amino-5,5,5-trifluoro-4-(trifluoromethyl)pentanoic acid

(2S)-2-amino-5,5,5-trifluoro-4-(trifluoromethyl)pentanoic acid (PubChem CID 7019591) has the molecular formula C6H7F6NO2 and a molecular weight of 239.12 g/mol. Its IUPAC name is (2S)-2-amino-5,5,5-trifluoro-4-(trifluoromethyl)pentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5,5,5-trifluoro-4-(trifluoromethyl)pentanoic acid
PubChem CID7019591
Molecular FormulaC6H7F6NO2
Molecular Weight239.12 g/mol
Exact Mass239.04
IUPAC Name(2S)-2-amino-5,5,5-trifluoro-4-(trifluoromethyl)pentanoic acid
SMILESN[C@@H](CC(C(F)(F)F)C(F)(F)F)C(=O)O
InChIInChI=1S/C6H7F6NO2/c7-5(8,9)3(6(10,11)12)1-2(13)4(14)15/h2-3H,1,13H2,(H,14,15)/t2-/m0/s1
InChIKeyMNZLMQYCEWHPPS-REOHCLBHSA-N
XLogP1.53
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.12
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5,5,5-trifluoro-4-(trifluoromethyl)pentanoic acid?
The IUPAC name of (2S)-2-amino-5,5,5-trifluoro-4-(trifluoromethyl)pentanoic acid (CID 7019591) is (2S)-2-amino-5,5,5-trifluoro-4-(trifluoromethyl)pentanoic acid.
What is the SMILES notation for (2S)-2-amino-5,5,5-trifluoro-4-(trifluoromethyl)pentanoic acid?
The canonical SMILES for (2S)-2-amino-5,5,5-trifluoro-4-(trifluoromethyl)pentanoic acid is N[C@@H](CC(C(F)(F)F)C(F)(F)F)C(=O)O.
What is the InChIKey of (2S)-2-amino-5,5,5-trifluoro-4-(trifluoromethyl)pentanoic acid?
The InChIKey is MNZLMQYCEWHPPS-REOHCLBHSA-N. The full InChI is InChI=1S/C6H7F6NO2/c7-5(8,9)3(6(10,11)12)1-2(13)4(14)15/h2-3H,1,13H2,(H,14,15)/t2-/m0/s1.
What are the key properties of (2S)-2-amino-5,5,5-trifluoro-4-(trifluoromethyl)pentanoic acid?
(2S)-2-amino-5,5,5-trifluoro-4-(trifluoromethyl)pentanoic acid has a molecular weight of 239.12 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5,5,5-trifluoro-4-(trifluoromethyl)pentanoic acid is sourced from PubChem (CID 7019591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).