(2S)-2-amino-4,4,5,5,6,6,6-heptafluorohexanoic acid

C6H6F7NO2 — CID 16726643

IUPAC(2S)-2-amino-4,4,5,5,6,6,6-heptafluorohexanoic acid
SMILESN[C@@H](CC(F)(F)C(F)(F)C(F)(F)F)C(=O)O
InChIInChI=1S/C6H6F7NO2/c7-4(8,1-2(14)3(15)16)5(9,10)6(11,12)13/h2H,1,14H2,(H,15,16)/t2-/m0/s1
InChIKeyXIDRMGWFRZGWJK-REOHCLBHSA-N
MW257.11 g/mol
LogP1.62
Rot. Bonds4

About (2S)-2-amino-4,4,5,5,6,6,6-heptafluorohexanoic acid

(2S)-2-amino-4,4,5,5,6,6,6-heptafluorohexanoic acid (PubChem CID 16726643) has the molecular formula C6H6F7NO2 and a molecular weight of 257.11 g/mol. Its IUPAC name is (2S)-2-amino-4,4,5,5,6,6,6-heptafluorohexanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-4,4,5,5,6,6,6-heptafluorohexanoic acid
PubChem CID16726643
Molecular FormulaC6H6F7NO2
Molecular Weight257.11 g/mol
Exact Mass257.03
IUPAC Name(2S)-2-amino-4,4,5,5,6,6,6-heptafluorohexanoic acid
SMILESN[C@@H](CC(F)(F)C(F)(F)C(F)(F)F)C(=O)O
InChIInChI=1S/C6H6F7NO2/c7-4(8,1-2(14)3(15)16)5(9,10)6(11,12)13/h2H,1,14H2,(H,15,16)/t2-/m0/s1
InChIKeyXIDRMGWFRZGWJK-REOHCLBHSA-N
XLogP1.62
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

Computed Properties (RDKit)

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

Analyze (2S)-2-amino-4,4,5,5,6,6,6-heptafluorohexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

L-Lysine
CID 5962
Caprine
CID 21236
Lysine, DL-
CID 866
D-Lysine
CID 57449
Norleucine, D-(-)-
CID 456468
Norleucine, (+-)-
CID 9475
6,6,6-Trifluoro-DL-norleucine
CID 228893
5,5,5-Trifluoro-DL-norvaline
CID 253377
L-lysinium(1+)
CID 641599
3-Amino-4,4,5,5,6,6,6-heptafluorohexanoic acid
CID 11368886
2-(Perfluoropropyl)glycine
CID 21295225
4,4,5,5,6,6,6-Heptafluoronorleucine
CID 22169544

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4,4,5,5,6,6,6-heptafluorohexanoic acid?
The IUPAC name of (2S)-2-amino-4,4,5,5,6,6,6-heptafluorohexanoic acid (CID 16726643) is (2S)-2-amino-4,4,5,5,6,6,6-heptafluorohexanoic acid.
What is the SMILES notation for (2S)-2-amino-4,4,5,5,6,6,6-heptafluorohexanoic acid?
The canonical SMILES for (2S)-2-amino-4,4,5,5,6,6,6-heptafluorohexanoic acid is N[C@@H](CC(F)(F)C(F)(F)C(F)(F)F)C(=O)O.
What is the InChIKey of (2S)-2-amino-4,4,5,5,6,6,6-heptafluorohexanoic acid?
The InChIKey is XIDRMGWFRZGWJK-REOHCLBHSA-N. The full InChI is InChI=1S/C6H6F7NO2/c7-4(8,1-2(14)3(15)16)5(9,10)6(11,12)13/h2H,1,14H2,(H,15,16)/t2-/m0/s1.
What are the key properties of (2S)-2-amino-4,4,5,5,6,6,6-heptafluorohexanoic acid?
(2S)-2-amino-4,4,5,5,6,6,6-heptafluorohexanoic acid has a molecular weight of 257.11 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4,4,5,5,6,6,6-heptafluorohexanoic acid is sourced from PubChem (CID 16726643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).