[(2R,4S)-4-fluoro-1-methylpyrrolidin-2-yl]methanol

C6H12FNO — CID 89026110

IUPAC[(2R,4S)-4-fluoro-1-methylpyrrolidin-2-yl]methanol
SMILESCN1C[C@@H](F)C[C@@H]1CO
InChIInChI=1S/C6H12FNO/c1-8-3-5(7)2-6(8)4-9/h5-6,9H,2-4H2,1H3/t5-,6+/m0/s1
InChIKeyPVVBFPXFGPDGGN-NTSWFWBYSA-N
MW133.17 g/mol
LogP0.02
Rot. Bonds1

About [(2R,4S)-4-fluoro-1-methylpyrrolidin-2-yl]methanol

[(2R,4S)-4-fluoro-1-methylpyrrolidin-2-yl]methanol (PubChem CID 89026110) has the molecular formula C6H12FNO and a molecular weight of 133.17 g/mol. Its IUPAC name is [(2R,4S)-4-fluoro-1-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R,4S)-4-fluoro-1-methylpyrrolidin-2-yl]methanol
PubChem CID89026110
Molecular FormulaC6H12FNO
Molecular Weight133.17 g/mol
Exact Mass133.09
IUPAC Name[(2R,4S)-4-fluoro-1-methylpyrrolidin-2-yl]methanol
SMILESCN1C[C@@H](F)C[C@@H]1CO
InChIInChI=1S/C6H12FNO/c1-8-3-5(7)2-6(8)4-9/h5-6,9H,2-4H2,1H3/t5-,6+/m0/s1
InChIKeyPVVBFPXFGPDGGN-NTSWFWBYSA-N
XLogP0.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.17
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2R,4S)-4-fluoro-1-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [(2R,4S)-4-fluoro-1-methylpyrrolidin-2-yl]methanol (CID 89026110) is [(2R,4S)-4-fluoro-1-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R,4S)-4-fluoro-1-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R,4S)-4-fluoro-1-methylpyrrolidin-2-yl]methanol is CN1C[C@@H](F)C[C@@H]1CO.
What is the InChIKey of [(2R,4S)-4-fluoro-1-methylpyrrolidin-2-yl]methanol?
The InChIKey is PVVBFPXFGPDGGN-NTSWFWBYSA-N. The full InChI is InChI=1S/C6H12FNO/c1-8-3-5(7)2-6(8)4-9/h5-6,9H,2-4H2,1H3/t5-,6+/m0/s1.
What are the key properties of [(2R,4S)-4-fluoro-1-methylpyrrolidin-2-yl]methanol?
[(2R,4S)-4-fluoro-1-methylpyrrolidin-2-yl]methanol has a molecular weight of 133.17 g/mol, XLogP of 0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S)-4-fluoro-1-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 89026110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).