2-amino-3,3,4,4,5,5,5-heptafluoropentanoic acid

C5H4F7NO2 — CID 21295225

IUPAC2-amino-3,3,4,4,5,5,5-heptafluoropentanoic acid
SMILESNC(C(=O)O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H4F7NO2/c6-3(7,1(13)2(14)15)4(8,9)5(10,11)12/h1H,13H2,(H,14,15)
InChIKeyXDCREYRIKFLHDN-UHFFFAOYSA-N
MW243.08 g/mol
LogP1.23
Rot. Bonds3

About 2-amino-3,3,4,4,5,5,5-heptafluoropentanoic acid

2-amino-3,3,4,4,5,5,5-heptafluoropentanoic acid (PubChem CID 21295225) has the molecular formula C5H4F7NO2 and a molecular weight of 243.08 g/mol. Its IUPAC name is 2-amino-3,3,4,4,5,5,5-heptafluoropentanoic acid.

Molecular Properties

Compound Name2-amino-3,3,4,4,5,5,5-heptafluoropentanoic acid
PubChem CID21295225
Molecular FormulaC5H4F7NO2
Molecular Weight243.08 g/mol
Exact Mass243.01
IUPAC Name2-amino-3,3,4,4,5,5,5-heptafluoropentanoic acid
SMILESNC(C(=O)O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H4F7NO2/c6-3(7,1(13)2(14)15)4(8,9)5(10,11)12/h1H,13H2,(H,14,15)
InChIKeyXDCREYRIKFLHDN-UHFFFAOYSA-N
XLogP1.23
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.08
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2-Amino-4,4,4-trifluorobutanoic acid
CID 353083
5-Fluoronorvaline
CID 101662
(2S)-2-amino-4,4,4-trifluorobutanoic acid
CID 6993161
6,6,6-Trifluoro-DL-norleucine
CID 228893
5,5,5-Trifluoro-DL-norvaline
CID 253377
5,5,5,5',5',5'-Hexafluoroleucine
CID 7019591
4,4,5,5,6,6,6-Heptafluoro-L-norleucine
CID 16726643
4,4,5,5,6,6,6-Heptafluoronorleucine
CID 22169544
(2S)-2-amino-4,4-difluorobutanoic acid
CID 49867425
4,4-Difluoro-L-ornithine
CID 10749608
(S)-2-Amino-6,6,6-trifluorohexanoic acid
CID 6992846
(S)-2-Amino-5,5,5-trifluoropentanoic acid
CID 7177179

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,4,4,5,5,5-heptafluoropentanoic acid?
The IUPAC name of 2-amino-3,3,4,4,5,5,5-heptafluoropentanoic acid (CID 21295225) is 2-amino-3,3,4,4,5,5,5-heptafluoropentanoic acid.
What is the SMILES notation for 2-amino-3,3,4,4,5,5,5-heptafluoropentanoic acid?
The canonical SMILES for 2-amino-3,3,4,4,5,5,5-heptafluoropentanoic acid is NC(C(=O)O)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-amino-3,3,4,4,5,5,5-heptafluoropentanoic acid?
The InChIKey is XDCREYRIKFLHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F7NO2/c6-3(7,1(13)2(14)15)4(8,9)5(10,11)12/h1H,13H2,(H,14,15).
What are the key properties of 2-amino-3,3,4,4,5,5,5-heptafluoropentanoic acid?
2-amino-3,3,4,4,5,5,5-heptafluoropentanoic acid has a molecular weight of 243.08 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,4,4,5,5,5-heptafluoropentanoic acid is sourced from PubChem (CID 21295225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).