[(2R)-4-(fluoromethylidene)-1-methylpyrrolidin-2-yl]methanol

C₇H₁₂FNO — CID 172577713

About [(2R)-4-(fluoromethylidene)-1-methylpyrrolidin-2-yl]methanol

[(2R)-4-(fluoromethylidene)-1-methylpyrrolidin-2-yl]methanol (PubChem CID 172577713) has the molecular formula C₇H₁₂FNO and a molecular weight of 145.18 g/mol. Its IUPAC name is [(2R)-4-(fluoromethylidene)-1-methylpyrrolidin-2-yl]methanol.

Molecular Properties

• Compound Name: [(2R)-4-(fluoromethylidene)-1-methylpyrrolidin-2-yl]methanol
• PubChem CID: 172577713
• Molecular Formula: C₇H₁₂FNO
• Molecular Weight: 145.18 g/mol
• Exact Mass: 145.09
• IUPAC Name: [(2R)-4-(fluoromethylidene)-1-methylpyrrolidin-2-yl]methanol
• SMILES: CN1CC(=CF)C[C@@H]1CO
• InChI: InChI=1S/C7H12FNO/c1-9-4-6(3-8)2-7(9)5-10/h3,7,10H,2,4-5H2,1H3/t7-/m1/s1
• InChIKey: HHGCLHMTXDWHIF-SSDOTTSWSA-N
• XLogP: 0.54
• TPSA: 23.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 10
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	145.18
LogP ≤ 5	0.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of [(2R)-4-(fluoromethylidene)-1-methylpyrrolidin-2-yl]methanol?

The IUPAC name of [(2R)-4-(fluoromethylidene)-1-methylpyrrolidin-2-yl]methanol (CID 172577713) is [(2R)-4-(fluoromethylidene)-1-methylpyrrolidin-2-yl]methanol.

What is the SMILES notation for [(2R)-4-(fluoromethylidene)-1-methylpyrrolidin-2-yl]methanol?

The canonical SMILES for [(2R)-4-(fluoromethylidene)-1-methylpyrrolidin-2-yl]methanol is CN1CC(=CF)C[C@@H]1CO.

What is the InChIKey of [(2R)-4-(fluoromethylidene)-1-methylpyrrolidin-2-yl]methanol?

The InChIKey is HHGCLHMTXDWHIF-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H12FNO/c1-9-4-6(3-8)2-7(9)5-10/h3,7,10H,2,4-5H2,1H3/t7-/m1/s1.

What are the key properties of [(2R)-4-(fluoromethylidene)-1-methylpyrrolidin-2-yl]methanol?

[(2R)-4-(fluoromethylidene)-1-methylpyrrolidin-2-yl]methanol has a molecular weight of 145.18 g/mol, XLogP of 0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-4-(fluoromethylidene)-1-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 172577713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 172577713 — identifiers, structure, computed properties (public domain)

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