3,3,3-trifluoro-2-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)-2-(trifluoromethyl)propanoic acid

C8HF14NO2 — CID 88649885

IUPAC3,3,3-trifluoro-2-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)-2-(trifluoromethyl)propanoic acid
SMILESO=C(O)C(N1C(F)(F)C(F)(F)C(F)(F)C1(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8HF14NO2/c9-3(10)4(11,12)8(21,22)23(7(3,19)20)2(1(24)25,5(13,14)15)6(16,17)18/h(H,24,25)
InChIKeyIRALJUDAKKIPMS-UHFFFAOYSA-N
MW409.07 g/mol
LogP3.71
Rot. Bonds2

About 3,3,3-trifluoro-2-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)-2-(trifluoromethyl)propanoic acid

3,3,3-trifluoro-2-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)-2-(trifluoromethyl)propanoic acid (PubChem CID 88649885) has the molecular formula C8HF14NO2 and a molecular weight of 409.07 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)-2-(trifluoromethyl)propanoic acid.

Molecular Properties

Compound Name3,3,3-trifluoro-2-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)-2-(trifluoromethyl)propanoic acid
PubChem CID88649885
Molecular FormulaC8HF14NO2
Molecular Weight409.07 g/mol
Exact Mass408.98
IUPAC Name3,3,3-trifluoro-2-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)-2-(trifluoromethyl)propanoic acid
SMILESO=C(O)C(N1C(F)(F)C(F)(F)C(F)(F)C1(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8HF14NO2/c9-3(10)4(11,12)8(21,22)23(7(3,19)20)2(1(24)25,5(13,14)15)6(16,17)18/h(H,24,25)
InChIKeyIRALJUDAKKIPMS-UHFFFAOYSA-N
XLogP3.71
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.07
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,3,3-trifluoro-2-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)-2-(trifluoromethyl)propanoic 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

(2S)-2,3,3,3-tetrafluoro-2-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)propanoic acid
CID 98130159
Sodium 3-(2,2,3,3,4,4,5,5,6,6-decafluoro-1-piperidinyl)-2,3,3-trifluoro-2-(trifluoromethyl)propanoate
CID 126957410
2-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroazepan-1-yl)-2,3,3,3-tetrafluoropropanoyl fluoride
CID 14249747
potassium 2,3,3,3-tetrafluoro-2-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)propanoate
CID 5235810
potassium 2-[difluoro-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)methyl]-2,3,3,3-tetrafluoropropanoate
CID 3767193
2-[2,2,3,3,5,5,6,6,7,7-decafluoro-4-(trifluoromethyl)-1,4-diazepan-1-yl]-2,2-difluoroacetyl fluoride
CID 91695023
2,2,3,3-tetrafluoro-3-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)propanal
CID 174910372
sodium 6-[[2-[(2,2,3,3,4,4,5,5,6,6-decafluoropiperidin-1-yl)-difluoromethyl]-2,3,3,3-tetrafluoropropanoyl]amino]hexanoate
CID 130238272
2-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)acetic acid
CID 23370839
sodium 4-[[2-[(2,2,3,3,4,4,5,5,6,6-decafluoropiperidin-1-yl)-difluoromethyl]-2,3,3,3-tetrafluoropropanoyl]amino]benzenesulfonate
CID 129185121
2,2,3,3,4,4,5,5-octafluoro-1-(1,1,2,3,3,3-hexafluoropropyl)pyrrolidine
CID 101245741
2-[[4-[bis(1-carboxy-1,2,2,2-tetrafluoroethoxy)-fluoromethyl]-1,2,2,3,3,4,5,5,6,6-decafluorocyclohexyl]-(1-carboxy-1,2,2,2-tetrafluoroethoxy)-fluoromethoxy]-2,3,3,3-tetrafluoropropanoic acid
CID 89198614

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)-2-(trifluoromethyl)propanoic acid?
The IUPAC name of 3,3,3-trifluoro-2-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)-2-(trifluoromethyl)propanoic acid (CID 88649885) is 3,3,3-trifluoro-2-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)-2-(trifluoromethyl)propanoic acid.
What is the SMILES notation for 3,3,3-trifluoro-2-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)-2-(trifluoromethyl)propanoic acid?
The canonical SMILES for 3,3,3-trifluoro-2-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)-2-(trifluoromethyl)propanoic acid is O=C(O)C(N1C(F)(F)C(F)(F)C(F)(F)C1(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)-2-(trifluoromethyl)propanoic acid?
The InChIKey is IRALJUDAKKIPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8HF14NO2/c9-3(10)4(11,12)8(21,22)23(7(3,19)20)2(1(24)25,5(13,14)15)6(16,17)18/h(H,24,25).
What are the key properties of 3,3,3-trifluoro-2-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)-2-(trifluoromethyl)propanoic acid?
3,3,3-trifluoro-2-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)-2-(trifluoromethyl)propanoic acid has a molecular weight of 409.07 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)-2-(trifluoromethyl)propanoic acid is sourced from PubChem (CID 88649885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).