2-[1-[3-fluoro-4-(trifluoromethyl)phenyl]propyl]pyrrolidine

C14H17F4N — CID 144524441

IUPAC2-[1-[3-fluoro-4-(trifluoromethyl)phenyl]propyl]pyrrolidine
SMILESCCC(c1ccc(C(F)(F)F)c(F)c1)C1CCCN1
InChIInChI=1S/C14H17F4N/c1-2-10(13-4-3-7-19-13)9-5-6-11(12(15)8-9)14(16,17)18/h5-6,8,10,13,19H,2-4,7H2,1H3
InChIKeyRGPFGIHAEYBFIJ-UHFFFAOYSA-N
MW275.29 g/mol
LogP4.09
Rot. Bonds3

About 2-[1-[3-fluoro-4-(trifluoromethyl)phenyl]propyl]pyrrolidine

2-[1-[3-fluoro-4-(trifluoromethyl)phenyl]propyl]pyrrolidine (PubChem CID 144524441) has the molecular formula C14H17F4N and a molecular weight of 275.29 g/mol. Its IUPAC name is 2-[1-[3-fluoro-4-(trifluoromethyl)phenyl]propyl]pyrrolidine.

Molecular Properties

Compound Name2-[1-[3-fluoro-4-(trifluoromethyl)phenyl]propyl]pyrrolidine
PubChem CID144524441
Molecular FormulaC14H17F4N
Molecular Weight275.29 g/mol
Exact Mass275.13
IUPAC Name2-[1-[3-fluoro-4-(trifluoromethyl)phenyl]propyl]pyrrolidine
SMILESCCC(c1ccc(C(F)(F)F)c(F)c1)C1CCCN1
InChIInChI=1S/C14H17F4N/c1-2-10(13-4-3-7-19-13)9-5-6-11(12(15)8-9)14(16,17)18/h5-6,8,10,13,19H,2-4,7H2,1H3
InChIKeyRGPFGIHAEYBFIJ-UHFFFAOYSA-N
XLogP4.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-fluoro-4-(trifluoromethyl)phenyl]propyl]pyrrolidine?
The IUPAC name of 2-[1-[3-fluoro-4-(trifluoromethyl)phenyl]propyl]pyrrolidine (CID 144524441) is 2-[1-[3-fluoro-4-(trifluoromethyl)phenyl]propyl]pyrrolidine.
What is the SMILES notation for 2-[1-[3-fluoro-4-(trifluoromethyl)phenyl]propyl]pyrrolidine?
The canonical SMILES for 2-[1-[3-fluoro-4-(trifluoromethyl)phenyl]propyl]pyrrolidine is CCC(c1ccc(C(F)(F)F)c(F)c1)C1CCCN1.
What is the InChIKey of 2-[1-[3-fluoro-4-(trifluoromethyl)phenyl]propyl]pyrrolidine?
The InChIKey is RGPFGIHAEYBFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F4N/c1-2-10(13-4-3-7-19-13)9-5-6-11(12(15)8-9)14(16,17)18/h5-6,8,10,13,19H,2-4,7H2,1H3.
What are the key properties of 2-[1-[3-fluoro-4-(trifluoromethyl)phenyl]propyl]pyrrolidine?
2-[1-[3-fluoro-4-(trifluoromethyl)phenyl]propyl]pyrrolidine has a molecular weight of 275.29 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-fluoro-4-(trifluoromethyl)phenyl]propyl]pyrrolidine is sourced from PubChem (CID 144524441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).