(3R)-3-fluoro-1-(1-methylsulfanylethyl)pyrrolidine

C7H14FNS — CID 134184047

IUPAC(3R)-3-fluoro-1-(1-methylsulfanylethyl)pyrrolidine
SMILESCSC(C)N1CC[C@@H](F)C1
InChIInChI=1S/C7H14FNS/c1-6(10-2)9-4-3-7(8)5-9/h6-7H,3-5H2,1-2H3/t6?,7-/m1/s1
InChIKeyZXRSYDZAMNQYBX-COBSHVIPSA-N
MW163.26 g/mol
LogP1.74
Rot. Bonds2

About (3R)-3-fluoro-1-(1-methylsulfanylethyl)pyrrolidine

(3R)-3-fluoro-1-(1-methylsulfanylethyl)pyrrolidine (PubChem CID 134184047) has the molecular formula C7H14FNS and a molecular weight of 163.26 g/mol. Its IUPAC name is (3R)-3-fluoro-1-(1-methylsulfanylethyl)pyrrolidine.

Molecular Properties

Compound Name(3R)-3-fluoro-1-(1-methylsulfanylethyl)pyrrolidine
PubChem CID134184047
Molecular FormulaC7H14FNS
Molecular Weight163.26 g/mol
Exact Mass163.08
IUPAC Name(3R)-3-fluoro-1-(1-methylsulfanylethyl)pyrrolidine
SMILESCSC(C)N1CC[C@@H](F)C1
InChIInChI=1S/C7H14FNS/c1-6(10-2)9-4-3-7(8)5-9/h6-7H,3-5H2,1-2H3/t6?,7-/m1/s1
InChIKeyZXRSYDZAMNQYBX-COBSHVIPSA-N
XLogP1.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 51.74
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-(1-methylsulfanylethyl)pyrrolidine?
The IUPAC name of (3R)-3-fluoro-1-(1-methylsulfanylethyl)pyrrolidine (CID 134184047) is (3R)-3-fluoro-1-(1-methylsulfanylethyl)pyrrolidine.
What is the SMILES notation for (3R)-3-fluoro-1-(1-methylsulfanylethyl)pyrrolidine?
The canonical SMILES for (3R)-3-fluoro-1-(1-methylsulfanylethyl)pyrrolidine is CSC(C)N1CC[C@@H](F)C1.
What is the InChIKey of (3R)-3-fluoro-1-(1-methylsulfanylethyl)pyrrolidine?
The InChIKey is ZXRSYDZAMNQYBX-COBSHVIPSA-N. The full InChI is InChI=1S/C7H14FNS/c1-6(10-2)9-4-3-7(8)5-9/h6-7H,3-5H2,1-2H3/t6?,7-/m1/s1.
What are the key properties of (3R)-3-fluoro-1-(1-methylsulfanylethyl)pyrrolidine?
(3R)-3-fluoro-1-(1-methylsulfanylethyl)pyrrolidine has a molecular weight of 163.26 g/mol, XLogP of 1.74, 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-(1-methylsulfanylethyl)pyrrolidine is sourced from PubChem (CID 134184047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).