1-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]pyrrolidine

C15H14F3NOS — CID 57202363

IUPAC1-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]pyrrolidine
SMILESFC(F)(F)Oc1ccc(-c2ccc(N3CCCC3)s2)cc1
InChIInChI=1S/C15H14F3NOS/c16-15(17,18)20-12-5-3-11(4-6-12)13-7-8-14(21-13)19-9-1-2-10-19/h3-8H,1-2,9-10H2
InChIKeyDFMPJADROBPYHM-UHFFFAOYSA-N
MW313.34 g/mol
LogP4.91
Rot. Bonds3

About 1-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]pyrrolidine

1-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]pyrrolidine (PubChem CID 57202363) has the molecular formula C15H14F3NOS and a molecular weight of 313.34 g/mol. Its IUPAC name is 1-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]pyrrolidine.

Molecular Properties

Compound Name1-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]pyrrolidine
PubChem CID57202363
Molecular FormulaC15H14F3NOS
Molecular Weight313.34 g/mol
Exact Mass313.07
IUPAC Name1-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]pyrrolidine
SMILESFC(F)(F)Oc1ccc(-c2ccc(N3CCCC3)s2)cc1
InChIInChI=1S/C15H14F3NOS/c16-15(17,18)20-12-5-3-11(4-6-12)13-7-8-14(21-13)19-9-1-2-10-19/h3-8H,1-2,9-10H2
InChIKeyDFMPJADROBPYHM-UHFFFAOYSA-N
XLogP4.91
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]pyrrolidine?
The IUPAC name of 1-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]pyrrolidine (CID 57202363) is 1-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]pyrrolidine.
What is the SMILES notation for 1-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]pyrrolidine?
The canonical SMILES for 1-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]pyrrolidine is FC(F)(F)Oc1ccc(-c2ccc(N3CCCC3)s2)cc1.
What is the InChIKey of 1-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]pyrrolidine?
The InChIKey is DFMPJADROBPYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NOS/c16-15(17,18)20-12-5-3-11(4-6-12)13-7-8-14(21-13)19-9-1-2-10-19/h3-8H,1-2,9-10H2.
What are the key properties of 1-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]pyrrolidine?
1-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]pyrrolidine has a molecular weight of 313.34 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]pyrrolidine is sourced from PubChem (CID 57202363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).