(3S)-3-(trifluoromethylsulfanyl)pyrrolidine

C5H8F3NS — CID 95567639

IUPAC(3S)-3-(trifluoromethylsulfanyl)pyrrolidine
SMILESFC(F)(F)S[C@H]1CCNC1
InChIInChI=1S/C5H8F3NS/c6-5(7,8)10-4-1-2-9-3-4/h4,9H,1-3H2/t4-/m0/s1
InChIKeyRKLWQDCTRWWAFZ-BYPYZUCNSA-N
MW171.19 g/mol
LogP1.60
Rot. Bonds1

About (3S)-3-(trifluoromethylsulfanyl)pyrrolidine

(3S)-3-(trifluoromethylsulfanyl)pyrrolidine (PubChem CID 95567639) has the molecular formula C5H8F3NS and a molecular weight of 171.19 g/mol. Its IUPAC name is (3S)-3-(trifluoromethylsulfanyl)pyrrolidine.

Molecular Properties

Compound Name(3S)-3-(trifluoromethylsulfanyl)pyrrolidine
PubChem CID95567639
Molecular FormulaC5H8F3NS
Molecular Weight171.19 g/mol
Exact Mass171.03
IUPAC Name(3S)-3-(trifluoromethylsulfanyl)pyrrolidine
SMILESFC(F)(F)S[C@H]1CCNC1
InChIInChI=1S/C5H8F3NS/c6-5(7,8)10-4-1-2-9-3-4/h4,9H,1-3H2/t4-/m0/s1
InChIKeyRKLWQDCTRWWAFZ-BYPYZUCNSA-N
XLogP1.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.19
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(trifluoromethylsulfanyl)pyrrolidine?
The IUPAC name of (3S)-3-(trifluoromethylsulfanyl)pyrrolidine (CID 95567639) is (3S)-3-(trifluoromethylsulfanyl)pyrrolidine.
What is the SMILES notation for (3S)-3-(trifluoromethylsulfanyl)pyrrolidine?
The canonical SMILES for (3S)-3-(trifluoromethylsulfanyl)pyrrolidine is FC(F)(F)S[C@H]1CCNC1.
What is the InChIKey of (3S)-3-(trifluoromethylsulfanyl)pyrrolidine?
The InChIKey is RKLWQDCTRWWAFZ-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H8F3NS/c6-5(7,8)10-4-1-2-9-3-4/h4,9H,1-3H2/t4-/m0/s1.
What are the key properties of (3S)-3-(trifluoromethylsulfanyl)pyrrolidine?
(3S)-3-(trifluoromethylsulfanyl)pyrrolidine has a molecular weight of 171.19 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(trifluoromethylsulfanyl)pyrrolidine is sourced from PubChem (CID 95567639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).