2-[5-fluoro-2-(trifluoromethyl)phenyl]-1-propan-2-ylpyrrolidine

C14H17F4N — CID 58334509

IUPAC2-[5-fluoro-2-(trifluoromethyl)phenyl]-1-propan-2-ylpyrrolidine
SMILESCC(C)N1CCCC1c1cc(F)ccc1C(F)(F)F
InChIInChI=1S/C14H17F4N/c1-9(2)19-7-3-4-13(19)11-8-10(15)5-6-12(11)14(16,17)18/h5-6,8-9,13H,3-4,7H2,1-2H3
InChIKeyAIYONBJXRZJTLG-UHFFFAOYSA-N
MW275.29 g/mol
LogP4.39
Rot. Bonds2

About 2-[5-fluoro-2-(trifluoromethyl)phenyl]-1-propan-2-ylpyrrolidine

2-[5-fluoro-2-(trifluoromethyl)phenyl]-1-propan-2-ylpyrrolidine (PubChem CID 58334509) has the molecular formula C14H17F4N and a molecular weight of 275.29 g/mol. Its IUPAC name is 2-[5-fluoro-2-(trifluoromethyl)phenyl]-1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name2-[5-fluoro-2-(trifluoromethyl)phenyl]-1-propan-2-ylpyrrolidine
PubChem CID58334509
Molecular FormulaC14H17F4N
Molecular Weight275.29 g/mol
Exact Mass275.13
IUPAC Name2-[5-fluoro-2-(trifluoromethyl)phenyl]-1-propan-2-ylpyrrolidine
SMILESCC(C)N1CCCC1c1cc(F)ccc1C(F)(F)F
InChIInChI=1S/C14H17F4N/c1-9(2)19-7-3-4-13(19)11-8-10(15)5-6-12(11)14(16,17)18/h5-6,8-9,13H,3-4,7H2,1-2H3
InChIKeyAIYONBJXRZJTLG-UHFFFAOYSA-N
XLogP4.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-2-(trifluoromethyl)phenyl]-1-propan-2-ylpyrrolidine?
The IUPAC name of 2-[5-fluoro-2-(trifluoromethyl)phenyl]-1-propan-2-ylpyrrolidine (CID 58334509) is 2-[5-fluoro-2-(trifluoromethyl)phenyl]-1-propan-2-ylpyrrolidine.
What is the SMILES notation for 2-[5-fluoro-2-(trifluoromethyl)phenyl]-1-propan-2-ylpyrrolidine?
The canonical SMILES for 2-[5-fluoro-2-(trifluoromethyl)phenyl]-1-propan-2-ylpyrrolidine is CC(C)N1CCCC1c1cc(F)ccc1C(F)(F)F.
What is the InChIKey of 2-[5-fluoro-2-(trifluoromethyl)phenyl]-1-propan-2-ylpyrrolidine?
The InChIKey is AIYONBJXRZJTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F4N/c1-9(2)19-7-3-4-13(19)11-8-10(15)5-6-12(11)14(16,17)18/h5-6,8-9,13H,3-4,7H2,1-2H3.
What are the key properties of 2-[5-fluoro-2-(trifluoromethyl)phenyl]-1-propan-2-ylpyrrolidine?
2-[5-fluoro-2-(trifluoromethyl)phenyl]-1-propan-2-ylpyrrolidine has a molecular weight of 275.29 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-2-(trifluoromethyl)phenyl]-1-propan-2-ylpyrrolidine is sourced from PubChem (CID 58334509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).