1-(4-tert-butyl-2-fluorophenyl)pyrrolidine

C14H20FN — CID 59615896

IUPAC1-(4-tert-butyl-2-fluorophenyl)pyrrolidine
SMILESCC(C)(C)c1ccc(N2CCCC2)c(F)c1
InChIInChI=1S/C14H20FN/c1-14(2,3)11-6-7-13(12(15)10-11)16-8-4-5-9-16/h6-7,10H,4-5,8-9H2,1-3H3
InChIKeyYSKJUAHNXVSBKH-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.72
Rot. Bonds1

About 1-(4-tert-butyl-2-fluorophenyl)pyrrolidine

1-(4-tert-butyl-2-fluorophenyl)pyrrolidine (PubChem CID 59615896) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is 1-(4-tert-butyl-2-fluorophenyl)pyrrolidine.

Molecular Properties

Compound Name1-(4-tert-butyl-2-fluorophenyl)pyrrolidine
PubChem CID59615896
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC Name1-(4-tert-butyl-2-fluorophenyl)pyrrolidine
SMILESCC(C)(C)c1ccc(N2CCCC2)c(F)c1
InChIInChI=1S/C14H20FN/c1-14(2,3)11-6-7-13(12(15)10-11)16-8-4-5-9-16/h6-7,10H,4-5,8-9H2,1-3H3
InChIKeyYSKJUAHNXVSBKH-UHFFFAOYSA-N
XLogP3.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-2-fluorophenyl)pyrrolidine?
The IUPAC name of 1-(4-tert-butyl-2-fluorophenyl)pyrrolidine (CID 59615896) is 1-(4-tert-butyl-2-fluorophenyl)pyrrolidine.
What is the SMILES notation for 1-(4-tert-butyl-2-fluorophenyl)pyrrolidine?
The canonical SMILES for 1-(4-tert-butyl-2-fluorophenyl)pyrrolidine is CC(C)(C)c1ccc(N2CCCC2)c(F)c1.
What is the InChIKey of 1-(4-tert-butyl-2-fluorophenyl)pyrrolidine?
The InChIKey is YSKJUAHNXVSBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-14(2,3)11-6-7-13(12(15)10-11)16-8-4-5-9-16/h6-7,10H,4-5,8-9H2,1-3H3.
What are the key properties of 1-(4-tert-butyl-2-fluorophenyl)pyrrolidine?
1-(4-tert-butyl-2-fluorophenyl)pyrrolidine has a molecular weight of 221.32 g/mol, XLogP of 3.72, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-2-fluorophenyl)pyrrolidine is sourced from PubChem (CID 59615896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).