pyrrolidin-2-ylmethanol;2,2,2-trifluoroacetic acid

C7H12F3NO3 — CID 159288961

IUPACpyrrolidin-2-ylmethanol;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.OCC1CCCN1
InChIInChI=1S/C5H11NO.C2HF3O2/c7-4-5-2-1-3-6-5;3-2(4,5)1(6)7/h5-7H,1-4H2;(H,6,7)
InChIKeyKZWFUADONAMMLG-UHFFFAOYSA-N
MW215.17 g/mol
LogP0.36
Rot. Bonds1

About pyrrolidin-2-ylmethanol;2,2,2-trifluoroacetic acid

pyrrolidin-2-ylmethanol;2,2,2-trifluoroacetic acid (PubChem CID 159288961) has the molecular formula C7H12F3NO3 and a molecular weight of 215.17 g/mol. Its IUPAC name is pyrrolidin-2-ylmethanol;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namepyrrolidin-2-ylmethanol;2,2,2-trifluoroacetic acid
PubChem CID159288961
Molecular FormulaC7H12F3NO3
Molecular Weight215.17 g/mol
Exact Mass215.08
IUPAC Namepyrrolidin-2-ylmethanol;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.OCC1CCCN1
InChIInChI=1S/C5H11NO.C2HF3O2/c7-4-5-2-1-3-6-5;3-2(4,5)1(6)7/h5-7H,1-4H2;(H,6,7)
InChIKeyKZWFUADONAMMLG-UHFFFAOYSA-N
XLogP0.36
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of pyrrolidin-2-ylmethanol;2,2,2-trifluoroacetic acid?
The IUPAC name of pyrrolidin-2-ylmethanol;2,2,2-trifluoroacetic acid (CID 159288961) is pyrrolidin-2-ylmethanol;2,2,2-trifluoroacetic acid.
What is the SMILES notation for pyrrolidin-2-ylmethanol;2,2,2-trifluoroacetic acid?
The canonical SMILES for pyrrolidin-2-ylmethanol;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.OCC1CCCN1.
What is the InChIKey of pyrrolidin-2-ylmethanol;2,2,2-trifluoroacetic acid?
The InChIKey is KZWFUADONAMMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.C2HF3O2/c7-4-5-2-1-3-6-5;3-2(4,5)1(6)7/h5-7H,1-4H2;(H,6,7).
What are the key properties of pyrrolidin-2-ylmethanol;2,2,2-trifluoroacetic acid?
pyrrolidin-2-ylmethanol;2,2,2-trifluoroacetic acid has a molecular weight of 215.17 g/mol, XLogP of 0.36, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-2-ylmethanol;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 159288961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).