(3R)-3-fluoro-1-(2,3,3-trimethylbutan-2-ylsulfonyl)pyrrolidine

C11H22FNO2S — CID 58562000

IUPAC(3R)-3-fluoro-1-(2,3,3-trimethylbutan-2-ylsulfonyl)pyrrolidine
SMILESCC(C)(C)C(C)(C)S(=O)(=O)N1CC[C@@H](F)C1
InChIInChI=1S/C11H22FNO2S/c1-10(2,3)11(4,5)16(14,15)13-7-6-9(12)8-13/h9H,6-8H2,1-5H3/t9-/m1/s1
InChIKeyLVSLKTSWQJNXFI-SECBINFHSA-N
MW251.37 g/mol
LogP2.18
Rot. Bonds2

About (3R)-3-fluoro-1-(2,3,3-trimethylbutan-2-ylsulfonyl)pyrrolidine

(3R)-3-fluoro-1-(2,3,3-trimethylbutan-2-ylsulfonyl)pyrrolidine (PubChem CID 58562000) has the molecular formula C11H22FNO2S and a molecular weight of 251.37 g/mol. Its IUPAC name is (3R)-3-fluoro-1-(2,3,3-trimethylbutan-2-ylsulfonyl)pyrrolidine.

Molecular Properties

Compound Name(3R)-3-fluoro-1-(2,3,3-trimethylbutan-2-ylsulfonyl)pyrrolidine
PubChem CID58562000
Molecular FormulaC11H22FNO2S
Molecular Weight251.37 g/mol
Exact Mass251.14
IUPAC Name(3R)-3-fluoro-1-(2,3,3-trimethylbutan-2-ylsulfonyl)pyrrolidine
SMILESCC(C)(C)C(C)(C)S(=O)(=O)N1CC[C@@H](F)C1
InChIInChI=1S/C11H22FNO2S/c1-10(2,3)11(4,5)16(14,15)13-7-6-9(12)8-13/h9H,6-8H2,1-5H3/t9-/m1/s1
InChIKeyLVSLKTSWQJNXFI-SECBINFHSA-N
XLogP2.18
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-fluoro-1-(2,3,3-trimethylbutan-2-ylsulfonyl)pyrrolidine?
The IUPAC name of (3R)-3-fluoro-1-(2,3,3-trimethylbutan-2-ylsulfonyl)pyrrolidine (CID 58562000) is (3R)-3-fluoro-1-(2,3,3-trimethylbutan-2-ylsulfonyl)pyrrolidine.
What is the SMILES notation for (3R)-3-fluoro-1-(2,3,3-trimethylbutan-2-ylsulfonyl)pyrrolidine?
The canonical SMILES for (3R)-3-fluoro-1-(2,3,3-trimethylbutan-2-ylsulfonyl)pyrrolidine is CC(C)(C)C(C)(C)S(=O)(=O)N1CC[C@@H](F)C1.
What is the InChIKey of (3R)-3-fluoro-1-(2,3,3-trimethylbutan-2-ylsulfonyl)pyrrolidine?
The InChIKey is LVSLKTSWQJNXFI-SECBINFHSA-N. The full InChI is InChI=1S/C11H22FNO2S/c1-10(2,3)11(4,5)16(14,15)13-7-6-9(12)8-13/h9H,6-8H2,1-5H3/t9-/m1/s1.
What are the key properties of (3R)-3-fluoro-1-(2,3,3-trimethylbutan-2-ylsulfonyl)pyrrolidine?
(3R)-3-fluoro-1-(2,3,3-trimethylbutan-2-ylsulfonyl)pyrrolidine has a molecular weight of 251.37 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-fluoro-1-(2,3,3-trimethylbutan-2-ylsulfonyl)pyrrolidine is sourced from PubChem (CID 58562000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).