1-[(2R)-pyrrolidin-2-yl]-2-(trifluoromethyl)prop-2-en-1-ol

C₈H₁₂F₃NO — CID 164662036

About 1-[(2R)-pyrrolidin-2-yl]-2-(trifluoromethyl)prop-2-en-1-ol

1-[(2R)-pyrrolidin-2-yl]-2-(trifluoromethyl)prop-2-en-1-ol (PubChem CID 164662036) has the molecular formula C₈H₁₂F₃NO and a molecular weight of 195.18 g/mol. Its IUPAC name is 1-[(2R)-pyrrolidin-2-yl]-2-(trifluoromethyl)prop-2-en-1-ol.

Molecular Properties

• Compound Name: 1-[(2R)-pyrrolidin-2-yl]-2-(trifluoromethyl)prop-2-en-1-ol
• PubChem CID: 164662036
• Molecular Formula: C₈H₁₂F₃NO
• Molecular Weight: 195.18 g/mol
• Exact Mass: 195.09
• IUPAC Name: 1-[(2R)-pyrrolidin-2-yl]-2-(trifluoromethyl)prop-2-en-1-ol
• SMILES: C=C(C(O)[C@H]1CCCN1)C(F)(F)F
• InChI: InChI=1S/C8H12F3NO/c1-5(8(9,10)11)7(13)6-3-2-4-12-6/h6-7,12-13H,1-4H2/t6-,7?/m1/s1
• InChIKey: HARSRNRTGGIZBP-ULUSZKPHSA-N
• XLogP: 1.22
• TPSA: 32.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	195.18
LogP ≤ 5	1.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-pyrrolidin-2-yl]-2-(trifluoromethyl)prop-2-en-1-ol?

The IUPAC name of 1-[(2R)-pyrrolidin-2-yl]-2-(trifluoromethyl)prop-2-en-1-ol (CID 164662036) is 1-[(2R)-pyrrolidin-2-yl]-2-(trifluoromethyl)prop-2-en-1-ol.

What is the SMILES notation for 1-[(2R)-pyrrolidin-2-yl]-2-(trifluoromethyl)prop-2-en-1-ol?

The canonical SMILES for 1-[(2R)-pyrrolidin-2-yl]-2-(trifluoromethyl)prop-2-en-1-ol is C=C(C(O)[C@H]1CCCN1)C(F)(F)F.

What is the InChIKey of 1-[(2R)-pyrrolidin-2-yl]-2-(trifluoromethyl)prop-2-en-1-ol?

The InChIKey is HARSRNRTGGIZBP-ULUSZKPHSA-N. The full InChI is InChI=1S/C8H12F3NO/c1-5(8(9,10)11)7(13)6-3-2-4-12-6/h6-7,12-13H,1-4H2/t6-,7?/m1/s1.

What are the key properties of 1-[(2R)-pyrrolidin-2-yl]-2-(trifluoromethyl)prop-2-en-1-ol?

1-[(2R)-pyrrolidin-2-yl]-2-(trifluoromethyl)prop-2-en-1-ol has a molecular weight of 195.18 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R)-pyrrolidin-2-yl]-2-(trifluoromethyl)prop-2-en-1-ol is sourced from PubChem (CID 164662036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 164662036 — identifiers, structure, computed properties (public domain)

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