[(2R,4S)-1-tert-butyl-4-fluoropyrrolidin-2-yl]methanol

C₉H₁₈FNO — CID 155627114

About [(2R,4S)-1-tert-butyl-4-fluoropyrrolidin-2-yl]methanol

[(2R,4S)-1-tert-butyl-4-fluoropyrrolidin-2-yl]methanol (PubChem CID 155627114) has the molecular formula C₉H₁₈FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is [(2R,4S)-1-tert-butyl-4-fluoropyrrolidin-2-yl]methanol.

Molecular Properties

• Compound Name: [(2R,4S)-1-tert-butyl-4-fluoropyrrolidin-2-yl]methanol
• PubChem CID: 155627114
• Molecular Formula: C₉H₁₈FNO
• Molecular Weight: 175.25 g/mol
• Exact Mass: 175.14
• IUPAC Name: [(2R,4S)-1-tert-butyl-4-fluoropyrrolidin-2-yl]methanol
• SMILES: CC(C)(C)N1C[C@@H](F)C[C@@H]1CO
• InChI: InChI=1S/C9H18FNO/c1-9(2,3)11-5-7(10)4-8(11)6-12/h7-8,12H,4-6H2,1-3H3/t7-,8+/m0/s1
• InChIKey: OVHVCSQWPDJTIY-JGVFFNPUSA-N
• XLogP: 1.19
• TPSA: 23.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	175.25
LogP ≤ 5	1.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of [(2R,4S)-1-tert-butyl-4-fluoropyrrolidin-2-yl]methanol?

The IUPAC name of [(2R,4S)-1-tert-butyl-4-fluoropyrrolidin-2-yl]methanol (CID 155627114) is [(2R,4S)-1-tert-butyl-4-fluoropyrrolidin-2-yl]methanol.

What is the SMILES notation for [(2R,4S)-1-tert-butyl-4-fluoropyrrolidin-2-yl]methanol?

The canonical SMILES for [(2R,4S)-1-tert-butyl-4-fluoropyrrolidin-2-yl]methanol is CC(C)(C)N1C[C@@H](F)C[C@@H]1CO.

What is the InChIKey of [(2R,4S)-1-tert-butyl-4-fluoropyrrolidin-2-yl]methanol?

The InChIKey is OVHVCSQWPDJTIY-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H18FNO/c1-9(2,3)11-5-7(10)4-8(11)6-12/h7-8,12H,4-6H2,1-3H3/t7-,8+/m0/s1.

What are the key properties of [(2R,4S)-1-tert-butyl-4-fluoropyrrolidin-2-yl]methanol?

[(2R,4S)-1-tert-butyl-4-fluoropyrrolidin-2-yl]methanol has a molecular weight of 175.25 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,4S)-1-tert-butyl-4-fluoropyrrolidin-2-yl]methanol is sourced from PubChem (CID 155627114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155627114 — identifiers, structure, computed properties (public domain)

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