2-[(2S)-1-ethylpyrrolidin-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol

C9H13F6NO — CID 174164358

IUPAC2-[(2S)-1-ethylpyrrolidin-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCCN1CCC[C@H]1C(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H13F6NO/c1-2-16-5-3-4-6(16)7(17,8(10,11)12)9(13,14)15/h6,17H,2-5H2,1H3/t6-/m0/s1
InChIKeyMYEYBUFJPPXLEC-LURJTMIESA-N
MW265.20 g/mol
LogP2.33
Rot. Bonds2

About 2-[(2S)-1-ethylpyrrolidin-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol

2-[(2S)-1-ethylpyrrolidin-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 174164358) has the molecular formula C9H13F6NO and a molecular weight of 265.20 g/mol. Its IUPAC name is 2-[(2S)-1-ethylpyrrolidin-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-[(2S)-1-ethylpyrrolidin-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID174164358
Molecular FormulaC9H13F6NO
Molecular Weight265.20 g/mol
Exact Mass265.09
IUPAC Name2-[(2S)-1-ethylpyrrolidin-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCCN1CCC[C@H]1C(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H13F6NO/c1-2-16-5-3-4-6(16)7(17,8(10,11)12)9(13,14)15/h6,17H,2-5H2,1H3/t6-/m0/s1
InChIKeyMYEYBUFJPPXLEC-LURJTMIESA-N
XLogP2.33
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.20
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(2S)-1-ethylpyrrolidin-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-ethylpyrrolidin-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-[(2S)-1-ethylpyrrolidin-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 174164358) is 2-[(2S)-1-ethylpyrrolidin-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-[(2S)-1-ethylpyrrolidin-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-[(2S)-1-ethylpyrrolidin-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol is CCN1CCC[C@H]1C(O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[(2S)-1-ethylpyrrolidin-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is MYEYBUFJPPXLEC-LURJTMIESA-N. The full InChI is InChI=1S/C9H13F6NO/c1-2-16-5-3-4-6(16)7(17,8(10,11)12)9(13,14)15/h6,17H,2-5H2,1H3/t6-/m0/s1.
What are the key properties of 2-[(2S)-1-ethylpyrrolidin-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-[(2S)-1-ethylpyrrolidin-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 265.20 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-ethylpyrrolidin-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 174164358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).