pyrrolidine-3,4-diol;2,2,2-trifluoroacetic acid

C6H10F3NO4 — CID 175175789

IUPACpyrrolidine-3,4-diol;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.OC1CNCC1O
InChIInChI=1S/C4H9NO2.C2HF3O2/c6-3-1-5-2-4(3)7;3-2(4,5)1(6)7/h3-7H,1-2H2;(H,6,7)
InChIKeyJYIYOFYUCRWOCX-UHFFFAOYSA-N
MW217.14 g/mol
LogP-1.06
Rot. Bonds

About pyrrolidine-3,4-diol;2,2,2-trifluoroacetic acid

pyrrolidine-3,4-diol;2,2,2-trifluoroacetic acid (PubChem CID 175175789) has the molecular formula C6H10F3NO4 and a molecular weight of 217.14 g/mol. Its IUPAC name is pyrrolidine-3,4-diol;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namepyrrolidine-3,4-diol;2,2,2-trifluoroacetic acid
PubChem CID175175789
Molecular FormulaC6H10F3NO4
Molecular Weight217.14 g/mol
Exact Mass217.06
IUPAC Namepyrrolidine-3,4-diol;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.OC1CNCC1O
InChIInChI=1S/C4H9NO2.C2HF3O2/c6-3-1-5-2-4(3)7;3-2(4,5)1(6)7/h3-7H,1-2H2;(H,6,7)
InChIKeyJYIYOFYUCRWOCX-UHFFFAOYSA-N
XLogP-1.06
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.14
LogP ≤ 5-1.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of pyrrolidine-3,4-diol;2,2,2-trifluoroacetic acid?
The IUPAC name of pyrrolidine-3,4-diol;2,2,2-trifluoroacetic acid (CID 175175789) is pyrrolidine-3,4-diol;2,2,2-trifluoroacetic acid.
What is the SMILES notation for pyrrolidine-3,4-diol;2,2,2-trifluoroacetic acid?
The canonical SMILES for pyrrolidine-3,4-diol;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.OC1CNCC1O.
What is the InChIKey of pyrrolidine-3,4-diol;2,2,2-trifluoroacetic acid?
The InChIKey is JYIYOFYUCRWOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2.C2HF3O2/c6-3-1-5-2-4(3)7;3-2(4,5)1(6)7/h3-7H,1-2H2;(H,6,7).
What are the key properties of pyrrolidine-3,4-diol;2,2,2-trifluoroacetic acid?
pyrrolidine-3,4-diol;2,2,2-trifluoroacetic acid has a molecular weight of 217.14 g/mol, XLogP of -1.06, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidine-3,4-diol;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175175789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).