3-[1-(2-chlorothiophen-3-yl)-1-fluoroethyl]pyrrolidine

C10H13ClFNS — CID 127016495

IUPAC3-[1-(2-chlorothiophen-3-yl)-1-fluoroethyl]pyrrolidine
SMILESCC(F)(c1ccsc1Cl)C1CCNC1
InChIInChI=1S/C10H13ClFNS/c1-10(12,7-2-4-13-6-7)8-3-5-14-9(8)11/h3,5,7,13H,2,4,6H2,1H3
InChIKeyVXVUKDINKQSLSA-UHFFFAOYSA-N
MW233.74 g/mol
LogP3.20
Rot. Bonds2

About 3-[1-(2-chlorothiophen-3-yl)-1-fluoroethyl]pyrrolidine

3-[1-(2-chlorothiophen-3-yl)-1-fluoroethyl]pyrrolidine (PubChem CID 127016495) has the molecular formula C10H13ClFNS and a molecular weight of 233.74 g/mol. Its IUPAC name is 3-[1-(2-chlorothiophen-3-yl)-1-fluoroethyl]pyrrolidine.

Molecular Properties

Compound Name3-[1-(2-chlorothiophen-3-yl)-1-fluoroethyl]pyrrolidine
PubChem CID127016495
Molecular FormulaC10H13ClFNS
Molecular Weight233.74 g/mol
Exact Mass233.04
IUPAC Name3-[1-(2-chlorothiophen-3-yl)-1-fluoroethyl]pyrrolidine
SMILESCC(F)(c1ccsc1Cl)C1CCNC1
InChIInChI=1S/C10H13ClFNS/c1-10(12,7-2-4-13-6-7)8-3-5-14-9(8)11/h3,5,7,13H,2,4,6H2,1H3
InChIKeyVXVUKDINKQSLSA-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.74
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-chlorothiophen-3-yl)-1-fluoroethyl]pyrrolidine?
The IUPAC name of 3-[1-(2-chlorothiophen-3-yl)-1-fluoroethyl]pyrrolidine (CID 127016495) is 3-[1-(2-chlorothiophen-3-yl)-1-fluoroethyl]pyrrolidine.
What is the SMILES notation for 3-[1-(2-chlorothiophen-3-yl)-1-fluoroethyl]pyrrolidine?
The canonical SMILES for 3-[1-(2-chlorothiophen-3-yl)-1-fluoroethyl]pyrrolidine is CC(F)(c1ccsc1Cl)C1CCNC1.
What is the InChIKey of 3-[1-(2-chlorothiophen-3-yl)-1-fluoroethyl]pyrrolidine?
The InChIKey is VXVUKDINKQSLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNS/c1-10(12,7-2-4-13-6-7)8-3-5-14-9(8)11/h3,5,7,13H,2,4,6H2,1H3.
What are the key properties of 3-[1-(2-chlorothiophen-3-yl)-1-fluoroethyl]pyrrolidine?
3-[1-(2-chlorothiophen-3-yl)-1-fluoroethyl]pyrrolidine has a molecular weight of 233.74 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-chlorothiophen-3-yl)-1-fluoroethyl]pyrrolidine is sourced from PubChem (CID 127016495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).