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

C7H14FNO3S — CID 87237910

IUPAC[(2R,4S)-4-fluoro-1-methylpyrrolidin-2-yl]methyl methanesulfonate
SMILESCN1C[C@@H](F)C[C@@H]1COS(C)(=O)=O
InChIInChI=1S/C7H14FNO3S/c1-9-4-6(8)3-7(9)5-12-13(2,10)11/h6-7H,3-5H2,1-2H3/t6-,7+/m0/s1
InChIKeySCLUPKUAACQQKP-NKWVEPMBSA-N
MW211.26 g/mol
LogP0.00
Rot. Bonds3

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

[(2R,4S)-4-fluoro-1-methylpyrrolidin-2-yl]methyl methanesulfonate (PubChem CID 87237910) has the molecular formula C7H14FNO3S and a molecular weight of 211.26 g/mol. Its IUPAC name is [(2R,4S)-4-fluoro-1-methylpyrrolidin-2-yl]methyl methanesulfonate.

Molecular Properties

Compound Name[(2R,4S)-4-fluoro-1-methylpyrrolidin-2-yl]methyl methanesulfonate
PubChem CID87237910
Molecular FormulaC7H14FNO3S
Molecular Weight211.26 g/mol
Exact Mass211.07
IUPAC Name[(2R,4S)-4-fluoro-1-methylpyrrolidin-2-yl]methyl methanesulfonate
SMILESCN1C[C@@H](F)C[C@@H]1COS(C)(=O)=O
InChIInChI=1S/C7H14FNO3S/c1-9-4-6(8)3-7(9)5-12-13(2,10)11/h6-7H,3-5H2,1-2H3/t6-,7+/m0/s1
InChIKeySCLUPKUAACQQKP-NKWVEPMBSA-N
XLogP0.00
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2R,4S)-4-fluoro-1-methylpyrrolidin-2-yl]methyl methanesulfonate?
The IUPAC name of [(2R,4S)-4-fluoro-1-methylpyrrolidin-2-yl]methyl methanesulfonate (CID 87237910) is [(2R,4S)-4-fluoro-1-methylpyrrolidin-2-yl]methyl methanesulfonate.
What is the SMILES notation for [(2R,4S)-4-fluoro-1-methylpyrrolidin-2-yl]methyl methanesulfonate?
The canonical SMILES for [(2R,4S)-4-fluoro-1-methylpyrrolidin-2-yl]methyl methanesulfonate is CN1C[C@@H](F)C[C@@H]1COS(C)(=O)=O.
What is the InChIKey of [(2R,4S)-4-fluoro-1-methylpyrrolidin-2-yl]methyl methanesulfonate?
The InChIKey is SCLUPKUAACQQKP-NKWVEPMBSA-N. The full InChI is InChI=1S/C7H14FNO3S/c1-9-4-6(8)3-7(9)5-12-13(2,10)11/h6-7H,3-5H2,1-2H3/t6-,7+/m0/s1.
What are the key properties of [(2R,4S)-4-fluoro-1-methylpyrrolidin-2-yl]methyl methanesulfonate?
[(2R,4S)-4-fluoro-1-methylpyrrolidin-2-yl]methyl methanesulfonate has a molecular weight of 211.26 g/mol, XLogP of 0.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S)-4-fluoro-1-methylpyrrolidin-2-yl]methyl methanesulfonate is sourced from PubChem (CID 87237910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).