(3R)-3-fluoro-1-[[1-(1-methylsulfanylethoxymethyl)cyclopropyl]methyl]pyrrolidine

C12H22FNOS — CID 175614299

IUPAC(3R)-3-fluoro-1-[[1-(1-methylsulfanylethoxymethyl)cyclopropyl]methyl]pyrrolidine
SMILESCSC(C)OCC1(CN2CC[C@@H](F)C2)CC1
InChIInChI=1S/C12H22FNOS/c1-10(16-2)15-9-12(4-5-12)8-14-6-3-11(13)7-14/h10-11H,3-9H2,1-2H3/t10?,11-/m1/s1
InChIKeySUVUNOCCHWKOMQ-RRKGBCIJSA-N
MW247.38 g/mol
LogP2.54
Rot. Bonds6

About (3R)-3-fluoro-1-[[1-(1-methylsulfanylethoxymethyl)cyclopropyl]methyl]pyrrolidine

(3R)-3-fluoro-1-[[1-(1-methylsulfanylethoxymethyl)cyclopropyl]methyl]pyrrolidine (PubChem CID 175614299) has the molecular formula C12H22FNOS and a molecular weight of 247.38 g/mol. Its IUPAC name is (3R)-3-fluoro-1-[[1-(1-methylsulfanylethoxymethyl)cyclopropyl]methyl]pyrrolidine.

Molecular Properties

Compound Name(3R)-3-fluoro-1-[[1-(1-methylsulfanylethoxymethyl)cyclopropyl]methyl]pyrrolidine
PubChem CID175614299
Molecular FormulaC12H22FNOS
Molecular Weight247.38 g/mol
Exact Mass247.14
IUPAC Name(3R)-3-fluoro-1-[[1-(1-methylsulfanylethoxymethyl)cyclopropyl]methyl]pyrrolidine
SMILESCSC(C)OCC1(CN2CC[C@@H](F)C2)CC1
InChIInChI=1S/C12H22FNOS/c1-10(16-2)15-9-12(4-5-12)8-14-6-3-11(13)7-14/h10-11H,3-9H2,1-2H3/t10?,11-/m1/s1
InChIKeySUVUNOCCHWKOMQ-RRKGBCIJSA-N
XLogP2.54
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-fluoro-1-[[1-(1-methylsulfanylethoxymethyl)cyclopropyl]methyl]pyrrolidine?
The IUPAC name of (3R)-3-fluoro-1-[[1-(1-methylsulfanylethoxymethyl)cyclopropyl]methyl]pyrrolidine (CID 175614299) is (3R)-3-fluoro-1-[[1-(1-methylsulfanylethoxymethyl)cyclopropyl]methyl]pyrrolidine.
What is the SMILES notation for (3R)-3-fluoro-1-[[1-(1-methylsulfanylethoxymethyl)cyclopropyl]methyl]pyrrolidine?
The canonical SMILES for (3R)-3-fluoro-1-[[1-(1-methylsulfanylethoxymethyl)cyclopropyl]methyl]pyrrolidine is CSC(C)OCC1(CN2CC[C@@H](F)C2)CC1.
What is the InChIKey of (3R)-3-fluoro-1-[[1-(1-methylsulfanylethoxymethyl)cyclopropyl]methyl]pyrrolidine?
The InChIKey is SUVUNOCCHWKOMQ-RRKGBCIJSA-N. The full InChI is InChI=1S/C12H22FNOS/c1-10(16-2)15-9-12(4-5-12)8-14-6-3-11(13)7-14/h10-11H,3-9H2,1-2H3/t10?,11-/m1/s1.
What are the key properties of (3R)-3-fluoro-1-[[1-(1-methylsulfanylethoxymethyl)cyclopropyl]methyl]pyrrolidine?
(3R)-3-fluoro-1-[[1-(1-methylsulfanylethoxymethyl)cyclopropyl]methyl]pyrrolidine has a molecular weight of 247.38 g/mol, XLogP of 2.54, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-fluoro-1-[[1-(1-methylsulfanylethoxymethyl)cyclopropyl]methyl]pyrrolidine is sourced from PubChem (CID 175614299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).