(3R)-1-(2,3-dimethylbutan-2-ylsulfonyl)-3-fluoropyrrolidine

C10H20FNO2S — CID 59267936

IUPAC(3R)-1-(2,3-dimethylbutan-2-ylsulfonyl)-3-fluoropyrrolidine
SMILESCC(C)C(C)(C)S(=O)(=O)N1CC[C@@H](F)C1
InChIInChI=1S/C10H20FNO2S/c1-8(2)10(3,4)15(13,14)12-6-5-9(11)7-12/h8-9H,5-7H2,1-4H3/t9-/m1/s1
InChIKeyDJKFIJQGZZSOOJ-SECBINFHSA-N
MW237.34 g/mol
LogP1.79
Rot. Bonds3

About (3R)-1-(2,3-dimethylbutan-2-ylsulfonyl)-3-fluoropyrrolidine

(3R)-1-(2,3-dimethylbutan-2-ylsulfonyl)-3-fluoropyrrolidine (PubChem CID 59267936) has the molecular formula C10H20FNO2S and a molecular weight of 237.34 g/mol. Its IUPAC name is (3R)-1-(2,3-dimethylbutan-2-ylsulfonyl)-3-fluoropyrrolidine.

Molecular Properties

Compound Name(3R)-1-(2,3-dimethylbutan-2-ylsulfonyl)-3-fluoropyrrolidine
PubChem CID59267936
Molecular FormulaC10H20FNO2S
Molecular Weight237.34 g/mol
Exact Mass237.12
IUPAC Name(3R)-1-(2,3-dimethylbutan-2-ylsulfonyl)-3-fluoropyrrolidine
SMILESCC(C)C(C)(C)S(=O)(=O)N1CC[C@@H](F)C1
InChIInChI=1S/C10H20FNO2S/c1-8(2)10(3,4)15(13,14)12-6-5-9(11)7-12/h8-9H,5-7H2,1-4H3/t9-/m1/s1
InChIKeyDJKFIJQGZZSOOJ-SECBINFHSA-N
XLogP1.79
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2,3-dimethylbutan-2-ylsulfonyl)-3-fluoropyrrolidine?
The IUPAC name of (3R)-1-(2,3-dimethylbutan-2-ylsulfonyl)-3-fluoropyrrolidine (CID 59267936) is (3R)-1-(2,3-dimethylbutan-2-ylsulfonyl)-3-fluoropyrrolidine.
What is the SMILES notation for (3R)-1-(2,3-dimethylbutan-2-ylsulfonyl)-3-fluoropyrrolidine?
The canonical SMILES for (3R)-1-(2,3-dimethylbutan-2-ylsulfonyl)-3-fluoropyrrolidine is CC(C)C(C)(C)S(=O)(=O)N1CC[C@@H](F)C1.
What is the InChIKey of (3R)-1-(2,3-dimethylbutan-2-ylsulfonyl)-3-fluoropyrrolidine?
The InChIKey is DJKFIJQGZZSOOJ-SECBINFHSA-N. The full InChI is InChI=1S/C10H20FNO2S/c1-8(2)10(3,4)15(13,14)12-6-5-9(11)7-12/h8-9H,5-7H2,1-4H3/t9-/m1/s1.
What are the key properties of (3R)-1-(2,3-dimethylbutan-2-ylsulfonyl)-3-fluoropyrrolidine?
(3R)-1-(2,3-dimethylbutan-2-ylsulfonyl)-3-fluoropyrrolidine has a molecular weight of 237.34 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2,3-dimethylbutan-2-ylsulfonyl)-3-fluoropyrrolidine is sourced from PubChem (CID 59267936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).