(2S,3R)-2-(hydroxymethyl)-1-[(Z)-5,5,5-trifluoropent-3-enyl]pyrrolidin-3-ol

C10H16F3NO2 — CID 129189896

IUPAC(2S,3R)-2-(hydroxymethyl)-1-[(Z)-5,5,5-trifluoropent-3-enyl]pyrrolidin-3-ol
SMILESOC[C@H]1[C@H](O)CCN1CC/C=C\C(F)(F)F
InChIInChI=1S/C10H16F3NO2/c11-10(12,13)4-1-2-5-14-6-3-9(16)8(14)7-15/h1,4,8-9,15-16H,2-3,5-7H2/b4-1-/t8-,9+/m0/s1
InChIKeyYLSKBJFJXWWYPC-MVHPKMBFSA-N
MW239.24 g/mol
LogP0.92
Rot. Bonds4

About (2S,3R)-2-(hydroxymethyl)-1-[(Z)-5,5,5-trifluoropent-3-enyl]pyrrolidin-3-ol

(2S,3R)-2-(hydroxymethyl)-1-[(Z)-5,5,5-trifluoropent-3-enyl]pyrrolidin-3-ol (PubChem CID 129189896) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is (2S,3R)-2-(hydroxymethyl)-1-[(Z)-5,5,5-trifluoropent-3-enyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(2S,3R)-2-(hydroxymethyl)-1-[(Z)-5,5,5-trifluoropent-3-enyl]pyrrolidin-3-ol
PubChem CID129189896
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Name(2S,3R)-2-(hydroxymethyl)-1-[(Z)-5,5,5-trifluoropent-3-enyl]pyrrolidin-3-ol
SMILESOC[C@H]1[C@H](O)CCN1CC/C=C\C(F)(F)F
InChIInChI=1S/C10H16F3NO2/c11-10(12,13)4-1-2-5-14-6-3-9(16)8(14)7-15/h1,4,8-9,15-16H,2-3,5-7H2/b4-1-/t8-,9+/m0/s1
InChIKeyYLSKBJFJXWWYPC-MVHPKMBFSA-N
XLogP0.92
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-(hydroxymethyl)-1-[(Z)-5,5,5-trifluoropent-3-enyl]pyrrolidin-3-ol?
The IUPAC name of (2S,3R)-2-(hydroxymethyl)-1-[(Z)-5,5,5-trifluoropent-3-enyl]pyrrolidin-3-ol (CID 129189896) is (2S,3R)-2-(hydroxymethyl)-1-[(Z)-5,5,5-trifluoropent-3-enyl]pyrrolidin-3-ol.
What is the SMILES notation for (2S,3R)-2-(hydroxymethyl)-1-[(Z)-5,5,5-trifluoropent-3-enyl]pyrrolidin-3-ol?
The canonical SMILES for (2S,3R)-2-(hydroxymethyl)-1-[(Z)-5,5,5-trifluoropent-3-enyl]pyrrolidin-3-ol is OC[C@H]1[C@H](O)CCN1CC/C=C\C(F)(F)F.
What is the InChIKey of (2S,3R)-2-(hydroxymethyl)-1-[(Z)-5,5,5-trifluoropent-3-enyl]pyrrolidin-3-ol?
The InChIKey is YLSKBJFJXWWYPC-MVHPKMBFSA-N. The full InChI is InChI=1S/C10H16F3NO2/c11-10(12,13)4-1-2-5-14-6-3-9(16)8(14)7-15/h1,4,8-9,15-16H,2-3,5-7H2/b4-1-/t8-,9+/m0/s1.
What are the key properties of (2S,3R)-2-(hydroxymethyl)-1-[(Z)-5,5,5-trifluoropent-3-enyl]pyrrolidin-3-ol?
(2S,3R)-2-(hydroxymethyl)-1-[(Z)-5,5,5-trifluoropent-3-enyl]pyrrolidin-3-ol has a molecular weight of 239.24 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-(hydroxymethyl)-1-[(Z)-5,5,5-trifluoropent-3-enyl]pyrrolidin-3-ol is sourced from PubChem (CID 129189896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).