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

C6H6F7NO2 — CID 129061051

IUPAC(2S)-2-amino-4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoic acid
SMILESN[C@@H](CC(F)(C(F)(F)F)C(F)(F)F)C(=O)O
InChIInChI=1S/C6H6F7NO2/c7-4(5(8,9)10,6(11,12)13)1-2(14)3(15)16/h2H,1,14H2,(H,15,16)/t2-/m0/s1
InChIKeyWTWDDMJAOAFBEU-REOHCLBHSA-N
MW257.11 g/mol
LogP1.62
Rot. Bonds3

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

(2S)-2-amino-4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoic acid (PubChem CID 129061051) has the molecular formula C6H6F7NO2 and a molecular weight of 257.11 g/mol. Its IUPAC name is (2S)-2-amino-4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoic acid
PubChem CID129061051
Molecular FormulaC6H6F7NO2
Molecular Weight257.11 g/mol
Exact Mass257.03
IUPAC Name(2S)-2-amino-4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoic acid
SMILESN[C@@H](CC(F)(C(F)(F)F)C(F)(F)F)C(=O)O
InChIInChI=1S/C6H6F7NO2/c7-4(5(8,9)10,6(11,12)13)1-2(14)3(15)16/h2H,1,14H2,(H,15,16)/t2-/m0/s1
InChIKeyWTWDDMJAOAFBEU-REOHCLBHSA-N
XLogP1.62
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.11
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-4,4-difluoropentanoic acid;hydrochloride
CID 87665395
(2R,4S)-2,4-diamino-5,5,5-trifluoropentanoic acid
CID 95241054
(2S,5R)-2,5-diamino-6,6,6-trifluorohexanoic acid
CID 39869181
(2S)-2-amino-5-fluoro-4,4-dimethylpentanoic acid
CID 129061039
(2S)-2,4-diamino-4-methylpentanoic acid
CID 54315966
2-amino-4,4-dimethylpentanoic acid;chloromethane
CID 175588190
2-amino-4-(2,2,2-trifluoroethoxy)butanoic acid
CID 61490488
(2S)-2-amino-4-(2,2,2-trifluoroethoxy)butanoic acid
CID 106702742
(2R)-2-amino-4,4-difluoro-4-phenylbutanoic acid
CID 106702814
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875
(2S)-2-amino-4-(2,2,2-trifluoroethyl)pentanedioic acid
CID 140641389
(2S)-2-amino-4-fluorosulfanyl-4-methylpentanoic acid
CID 142291582

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoic acid?
The IUPAC name of (2S)-2-amino-4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoic acid (CID 129061051) is (2S)-2-amino-4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoic acid.
What is the SMILES notation for (2S)-2-amino-4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoic acid?
The canonical SMILES for (2S)-2-amino-4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoic acid is N[C@@H](CC(F)(C(F)(F)F)C(F)(F)F)C(=O)O.
What is the InChIKey of (2S)-2-amino-4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoic acid?
The InChIKey is WTWDDMJAOAFBEU-REOHCLBHSA-N. The full InChI is InChI=1S/C6H6F7NO2/c7-4(5(8,9)10,6(11,12)13)1-2(14)3(15)16/h2H,1,14H2,(H,15,16)/t2-/m0/s1.
What are the key properties of (2S)-2-amino-4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoic acid?
(2S)-2-amino-4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoic acid has a molecular weight of 257.11 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoic acid is sourced from PubChem (CID 129061051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).