1-[2-(furan-2-yl)-4-(trifluoromethyl)phenyl]pyrrolidine

C15H14F3NO — CID 168524729

IUPAC1-[2-(furan-2-yl)-4-(trifluoromethyl)phenyl]pyrrolidine
SMILESFC(F)(F)c1ccc(N2CCCC2)c(-c2ccco2)c1
InChIInChI=1S/C15H14F3NO/c16-15(17,18)11-5-6-13(19-7-1-2-8-19)12(10-11)14-4-3-9-20-14/h3-6,9-10H,1-2,7-8H2
InChIKeyQSBLPHZWWVVTHU-UHFFFAOYSA-N
MW281.28 g/mol
LogP4.57
Rot. Bonds2

About 1-[2-(furan-2-yl)-4-(trifluoromethyl)phenyl]pyrrolidine

1-[2-(furan-2-yl)-4-(trifluoromethyl)phenyl]pyrrolidine (PubChem CID 168524729) has the molecular formula C15H14F3NO and a molecular weight of 281.28 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)-4-(trifluoromethyl)phenyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-(furan-2-yl)-4-(trifluoromethyl)phenyl]pyrrolidine
PubChem CID168524729
Molecular FormulaC15H14F3NO
Molecular Weight281.28 g/mol
Exact Mass281.10
IUPAC Name1-[2-(furan-2-yl)-4-(trifluoromethyl)phenyl]pyrrolidine
SMILESFC(F)(F)c1ccc(N2CCCC2)c(-c2ccco2)c1
InChIInChI=1S/C15H14F3NO/c16-15(17,18)11-5-6-13(19-7-1-2-8-19)12(10-11)14-4-3-9-20-14/h3-6,9-10H,1-2,7-8H2
InChIKeyQSBLPHZWWVVTHU-UHFFFAOYSA-N
XLogP4.57
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)-4-(trifluoromethyl)phenyl]pyrrolidine?
The IUPAC name of 1-[2-(furan-2-yl)-4-(trifluoromethyl)phenyl]pyrrolidine (CID 168524729) is 1-[2-(furan-2-yl)-4-(trifluoromethyl)phenyl]pyrrolidine.
What is the SMILES notation for 1-[2-(furan-2-yl)-4-(trifluoromethyl)phenyl]pyrrolidine?
The canonical SMILES for 1-[2-(furan-2-yl)-4-(trifluoromethyl)phenyl]pyrrolidine is FC(F)(F)c1ccc(N2CCCC2)c(-c2ccco2)c1.
What is the InChIKey of 1-[2-(furan-2-yl)-4-(trifluoromethyl)phenyl]pyrrolidine?
The InChIKey is QSBLPHZWWVVTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO/c16-15(17,18)11-5-6-13(19-7-1-2-8-19)12(10-11)14-4-3-9-20-14/h3-6,9-10H,1-2,7-8H2.
What are the key properties of 1-[2-(furan-2-yl)-4-(trifluoromethyl)phenyl]pyrrolidine?
1-[2-(furan-2-yl)-4-(trifluoromethyl)phenyl]pyrrolidine has a molecular weight of 281.28 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)-4-(trifluoromethyl)phenyl]pyrrolidine is sourced from PubChem (CID 168524729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).