(3R)-3-fluoro-1-prop-2-enylsulfonylpyrrolidine

C7H12FNO2S — CID 174338482

IUPAC(3R)-3-fluoro-1-prop-2-enylsulfonylpyrrolidine
SMILESC=CCS(=O)(=O)N1CC[C@@H](F)C1
InChIInChI=1S/C7H12FNO2S/c1-2-5-12(10,11)9-4-3-7(8)6-9/h2,7H,1,3-6H2/t7-/m1/s1
InChIKeyZHXRCMNXBNISNC-SSDOTTSWSA-N
MW193.24 g/mol
LogP0.55
Rot. Bonds3

About (3R)-3-fluoro-1-prop-2-enylsulfonylpyrrolidine

(3R)-3-fluoro-1-prop-2-enylsulfonylpyrrolidine (PubChem CID 174338482) has the molecular formula C7H12FNO2S and a molecular weight of 193.24 g/mol. Its IUPAC name is (3R)-3-fluoro-1-prop-2-enylsulfonylpyrrolidine.

Molecular Properties

Compound Name(3R)-3-fluoro-1-prop-2-enylsulfonylpyrrolidine
PubChem CID174338482
Molecular FormulaC7H12FNO2S
Molecular Weight193.24 g/mol
Exact Mass193.06
IUPAC Name(3R)-3-fluoro-1-prop-2-enylsulfonylpyrrolidine
SMILESC=CCS(=O)(=O)N1CC[C@@H](F)C1
InChIInChI=1S/C7H12FNO2S/c1-2-5-12(10,11)9-4-3-7(8)6-9/h2,7H,1,3-6H2/t7-/m1/s1
InChIKeyZHXRCMNXBNISNC-SSDOTTSWSA-N
XLogP0.55
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-fluoro-1-prop-2-enylsulfonylpyrrolidine?
The IUPAC name of (3R)-3-fluoro-1-prop-2-enylsulfonylpyrrolidine (CID 174338482) is (3R)-3-fluoro-1-prop-2-enylsulfonylpyrrolidine.
What is the SMILES notation for (3R)-3-fluoro-1-prop-2-enylsulfonylpyrrolidine?
The canonical SMILES for (3R)-3-fluoro-1-prop-2-enylsulfonylpyrrolidine is C=CCS(=O)(=O)N1CC[C@@H](F)C1.
What is the InChIKey of (3R)-3-fluoro-1-prop-2-enylsulfonylpyrrolidine?
The InChIKey is ZHXRCMNXBNISNC-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H12FNO2S/c1-2-5-12(10,11)9-4-3-7(8)6-9/h2,7H,1,3-6H2/t7-/m1/s1.
What are the key properties of (3R)-3-fluoro-1-prop-2-enylsulfonylpyrrolidine?
(3R)-3-fluoro-1-prop-2-enylsulfonylpyrrolidine has a molecular weight of 193.24 g/mol, XLogP of 0.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-fluoro-1-prop-2-enylsulfonylpyrrolidine is sourced from PubChem (CID 174338482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).