(3R)-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine

C7H13F3N2S — CID 104891369

IUPAC(3R)-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine
SMILESN[C@@H]1CCN(CCSC(F)(F)F)C1
InChIInChI=1S/C7H13F3N2S/c8-7(9,10)13-4-3-12-2-1-6(11)5-12/h6H,1-5,11H2/t6-/m1/s1
InChIKeyRUHOJYMARLJGHF-ZCFIWIBFSA-N
MW214.26 g/mol
LogP1.27
Rot. Bonds3

About (3R)-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine

(3R)-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine (PubChem CID 104891369) has the molecular formula C7H13F3N2S and a molecular weight of 214.26 g/mol. Its IUPAC name is (3R)-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine
PubChem CID104891369
Molecular FormulaC7H13F3N2S
Molecular Weight214.26 g/mol
Exact Mass214.08
IUPAC Name(3R)-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine
SMILESN[C@@H]1CCN(CCSC(F)(F)F)C1
InChIInChI=1S/C7H13F3N2S/c8-7(9,10)13-4-3-12-2-1-6(11)5-12/h6H,1-5,11H2/t6-/m1/s1
InChIKeyRUHOJYMARLJGHF-ZCFIWIBFSA-N
XLogP1.27
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine?
The IUPAC name of (3R)-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine (CID 104891369) is (3R)-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine?
The canonical SMILES for (3R)-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine is N[C@@H]1CCN(CCSC(F)(F)F)C1.
What is the InChIKey of (3R)-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine?
The InChIKey is RUHOJYMARLJGHF-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H13F3N2S/c8-7(9,10)13-4-3-12-2-1-6(11)5-12/h6H,1-5,11H2/t6-/m1/s1.
What are the key properties of (3R)-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine?
(3R)-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine has a molecular weight of 214.26 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 104891369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).