(2R,4R)-4-fluoro-2-methylsulfanyl-1-propan-2-ylpyrrolidine

C8H16FNS — CID 146374941

IUPAC(2R,4R)-4-fluoro-2-methylsulfanyl-1-propan-2-ylpyrrolidine
SMILESCS[C@@H]1C[C@@H](F)CN1C(C)C
InChIInChI=1S/C8H16FNS/c1-6(2)10-5-7(9)4-8(10)11-3/h6-8H,4-5H2,1-3H3/t7-,8-/m1/s1
InChIKeyRVOJOIJVCRAIDY-HTQZYQBOSA-N
MW177.29 g/mol
LogP2.13
Rot. Bonds2

About (2R,4R)-4-fluoro-2-methylsulfanyl-1-propan-2-ylpyrrolidine

(2R,4R)-4-fluoro-2-methylsulfanyl-1-propan-2-ylpyrrolidine (PubChem CID 146374941) has the molecular formula C8H16FNS and a molecular weight of 177.29 g/mol. Its IUPAC name is (2R,4R)-4-fluoro-2-methylsulfanyl-1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name(2R,4R)-4-fluoro-2-methylsulfanyl-1-propan-2-ylpyrrolidine
PubChem CID146374941
Molecular FormulaC8H16FNS
Molecular Weight177.29 g/mol
Exact Mass177.10
IUPAC Name(2R,4R)-4-fluoro-2-methylsulfanyl-1-propan-2-ylpyrrolidine
SMILESCS[C@@H]1C[C@@H](F)CN1C(C)C
InChIInChI=1S/C8H16FNS/c1-6(2)10-5-7(9)4-8(10)11-3/h6-8H,4-5H2,1-3H3/t7-,8-/m1/s1
InChIKeyRVOJOIJVCRAIDY-HTQZYQBOSA-N
XLogP2.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-fluoro-2-methylsulfanyl-1-propan-2-ylpyrrolidine?
The IUPAC name of (2R,4R)-4-fluoro-2-methylsulfanyl-1-propan-2-ylpyrrolidine (CID 146374941) is (2R,4R)-4-fluoro-2-methylsulfanyl-1-propan-2-ylpyrrolidine.
What is the SMILES notation for (2R,4R)-4-fluoro-2-methylsulfanyl-1-propan-2-ylpyrrolidine?
The canonical SMILES for (2R,4R)-4-fluoro-2-methylsulfanyl-1-propan-2-ylpyrrolidine is CS[C@@H]1C[C@@H](F)CN1C(C)C.
What is the InChIKey of (2R,4R)-4-fluoro-2-methylsulfanyl-1-propan-2-ylpyrrolidine?
The InChIKey is RVOJOIJVCRAIDY-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H16FNS/c1-6(2)10-5-7(9)4-8(10)11-3/h6-8H,4-5H2,1-3H3/t7-,8-/m1/s1.
What are the key properties of (2R,4R)-4-fluoro-2-methylsulfanyl-1-propan-2-ylpyrrolidine?
(2R,4R)-4-fluoro-2-methylsulfanyl-1-propan-2-ylpyrrolidine has a molecular weight of 177.29 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-fluoro-2-methylsulfanyl-1-propan-2-ylpyrrolidine is sourced from PubChem (CID 146374941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).