3-[5-(trifluoromethyl)thiophen-2-yl]pyrrolidine

C9H10F3NS — CID 82392457

IUPAC3-[5-(trifluoromethyl)thiophen-2-yl]pyrrolidine
SMILESFC(F)(F)c1ccc(C2CCNC2)s1
InChIInChI=1S/C9H10F3NS/c10-9(11,12)8-2-1-7(14-8)6-3-4-13-5-6/h1-2,6,13H,3-5H2
InChIKeyAWMOMPWPFLRHMQ-UHFFFAOYSA-N
MW221.25 g/mol
LogP2.84
Rot. Bonds1

About 3-[5-(trifluoromethyl)thiophen-2-yl]pyrrolidine

3-[5-(trifluoromethyl)thiophen-2-yl]pyrrolidine (PubChem CID 82392457) has the molecular formula C9H10F3NS and a molecular weight of 221.25 g/mol. Its IUPAC name is 3-[5-(trifluoromethyl)thiophen-2-yl]pyrrolidine.

Molecular Properties

Compound Name3-[5-(trifluoromethyl)thiophen-2-yl]pyrrolidine
PubChem CID82392457
Molecular FormulaC9H10F3NS
Molecular Weight221.25 g/mol
Exact Mass221.05
IUPAC Name3-[5-(trifluoromethyl)thiophen-2-yl]pyrrolidine
SMILESFC(F)(F)c1ccc(C2CCNC2)s1
InChIInChI=1S/C9H10F3NS/c10-9(11,12)8-2-1-7(14-8)6-3-4-13-5-6/h1-2,6,13H,3-5H2
InChIKeyAWMOMPWPFLRHMQ-UHFFFAOYSA-N
XLogP2.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(trifluoromethyl)thiophen-2-yl]pyrrolidine?
The IUPAC name of 3-[5-(trifluoromethyl)thiophen-2-yl]pyrrolidine (CID 82392457) is 3-[5-(trifluoromethyl)thiophen-2-yl]pyrrolidine.
What is the SMILES notation for 3-[5-(trifluoromethyl)thiophen-2-yl]pyrrolidine?
The canonical SMILES for 3-[5-(trifluoromethyl)thiophen-2-yl]pyrrolidine is FC(F)(F)c1ccc(C2CCNC2)s1.
What is the InChIKey of 3-[5-(trifluoromethyl)thiophen-2-yl]pyrrolidine?
The InChIKey is AWMOMPWPFLRHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NS/c10-9(11,12)8-2-1-7(14-8)6-3-4-13-5-6/h1-2,6,13H,3-5H2.
What are the key properties of 3-[5-(trifluoromethyl)thiophen-2-yl]pyrrolidine?
3-[5-(trifluoromethyl)thiophen-2-yl]pyrrolidine has a molecular weight of 221.25 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(trifluoromethyl)thiophen-2-yl]pyrrolidine is sourced from PubChem (CID 82392457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).