(2S)-2-amino-2,3,3,4,4,5,5,5-octafluoropentanoic acid

C5H3F8NO2 — CID 91107544

IUPAC(2S)-2-amino-2,3,3,4,4,5,5,5-octafluoropentanoic acid
SMILESN[C@](F)(C(=O)O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H3F8NO2/c6-2(14,1(15)16)3(7,8)4(9,10)5(11,12)13/h14H2,(H,15,16)/t2-/m1/s1
InChIKeyBHGFVFGKZFMEGG-UWTATZPHSA-N
MW261.07 g/mol
LogP1.53
Rot. Bonds3

About (2S)-2-amino-2,3,3,4,4,5,5,5-octafluoropentanoic acid

(2S)-2-amino-2,3,3,4,4,5,5,5-octafluoropentanoic acid (PubChem CID 91107544) has the molecular formula C5H3F8NO2 and a molecular weight of 261.07 g/mol. Its IUPAC name is (2S)-2-amino-2,3,3,4,4,5,5,5-octafluoropentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-2,3,3,4,4,5,5,5-octafluoropentanoic acid
PubChem CID91107544
Molecular FormulaC5H3F8NO2
Molecular Weight261.07 g/mol
Exact Mass261.00
IUPAC Name(2S)-2-amino-2,3,3,4,4,5,5,5-octafluoropentanoic acid
SMILESN[C@](F)(C(=O)O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H3F8NO2/c6-2(14,1(15)16)3(7,8)4(9,10)5(11,12)13/h14H2,(H,15,16)/t2-/m1/s1
InChIKeyBHGFVFGKZFMEGG-UWTATZPHSA-N
XLogP1.53
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.07
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methylpropan-2-amine;2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoic acid
CID 13311593
2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-octatriacontafluoro-2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-heptatriacontafluorooctadecyl)icosanoic acid
CID 139774776
2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)propanedioic acid
CID 169091833
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-hentriacontafluoro(1,2-13C2)hexadecanoic acid
CID 165363579
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoic acid;hydrochloride
CID 162574221
2-(1,1,2,2,2-pentafluoroethyl)-2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)propanedioic acid
CID 169091830
2-chloro-2,3,3,4,4,5,5,5-octafluoropentanoic acid
CID 165364661
CID 87197616
CID 87197616
silver;2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoic acid
CID 142472251
CID 87771874
CID 87771874
chromium;2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoic acid
CID 87460602
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2,2-bis(trifluoromethyl)octanoic acid
CID 139972180

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2,3,3,4,4,5,5,5-octafluoropentanoic acid?
The IUPAC name of (2S)-2-amino-2,3,3,4,4,5,5,5-octafluoropentanoic acid (CID 91107544) is (2S)-2-amino-2,3,3,4,4,5,5,5-octafluoropentanoic acid.
What is the SMILES notation for (2S)-2-amino-2,3,3,4,4,5,5,5-octafluoropentanoic acid?
The canonical SMILES for (2S)-2-amino-2,3,3,4,4,5,5,5-octafluoropentanoic acid is N[C@](F)(C(=O)O)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of (2S)-2-amino-2,3,3,4,4,5,5,5-octafluoropentanoic acid?
The InChIKey is BHGFVFGKZFMEGG-UWTATZPHSA-N. The full InChI is InChI=1S/C5H3F8NO2/c6-2(14,1(15)16)3(7,8)4(9,10)5(11,12)13/h14H2,(H,15,16)/t2-/m1/s1.
What are the key properties of (2S)-2-amino-2,3,3,4,4,5,5,5-octafluoropentanoic acid?
(2S)-2-amino-2,3,3,4,4,5,5,5-octafluoropentanoic acid has a molecular weight of 261.07 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-2,3,3,4,4,5,5,5-octafluoropentanoic acid is sourced from PubChem (CID 91107544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).