1-tert-butyl-2-(2-cyclopropyl-6-fluorophenyl)pyrrolidine

C17H24FN — CID 158072717

IUPAC1-tert-butyl-2-(2-cyclopropyl-6-fluorophenyl)pyrrolidine
SMILESCC(C)(C)N1CCCC1c1c(F)cccc1C1CC1
InChIInChI=1S/C17H24FN/c1-17(2,3)19-11-5-8-15(19)16-13(12-9-10-12)6-4-7-14(16)18/h4,6-7,12,15H,5,8-11H2,1-3H3
InChIKeyOPIXKPDRJKMQSY-UHFFFAOYSA-N
MW261.38 g/mol
LogP4.64
Rot. Bonds2

About 1-tert-butyl-2-(2-cyclopropyl-6-fluorophenyl)pyrrolidine

1-tert-butyl-2-(2-cyclopropyl-6-fluorophenyl)pyrrolidine (PubChem CID 158072717) has the molecular formula C17H24FN and a molecular weight of 261.38 g/mol. Its IUPAC name is 1-tert-butyl-2-(2-cyclopropyl-6-fluorophenyl)pyrrolidine.

Molecular Properties

Compound Name1-tert-butyl-2-(2-cyclopropyl-6-fluorophenyl)pyrrolidine
PubChem CID158072717
Molecular FormulaC17H24FN
Molecular Weight261.38 g/mol
Exact Mass261.19
IUPAC Name1-tert-butyl-2-(2-cyclopropyl-6-fluorophenyl)pyrrolidine
SMILESCC(C)(C)N1CCCC1c1c(F)cccc1C1CC1
InChIInChI=1S/C17H24FN/c1-17(2,3)19-11-5-8-15(19)16-13(12-9-10-12)6-4-7-14(16)18/h4,6-7,12,15H,5,8-11H2,1-3H3
InChIKeyOPIXKPDRJKMQSY-UHFFFAOYSA-N
XLogP4.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.38
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-(2-cyclopropyl-6-fluorophenyl)pyrrolidine?
The IUPAC name of 1-tert-butyl-2-(2-cyclopropyl-6-fluorophenyl)pyrrolidine (CID 158072717) is 1-tert-butyl-2-(2-cyclopropyl-6-fluorophenyl)pyrrolidine.
What is the SMILES notation for 1-tert-butyl-2-(2-cyclopropyl-6-fluorophenyl)pyrrolidine?
The canonical SMILES for 1-tert-butyl-2-(2-cyclopropyl-6-fluorophenyl)pyrrolidine is CC(C)(C)N1CCCC1c1c(F)cccc1C1CC1.
What is the InChIKey of 1-tert-butyl-2-(2-cyclopropyl-6-fluorophenyl)pyrrolidine?
The InChIKey is OPIXKPDRJKMQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN/c1-17(2,3)19-11-5-8-15(19)16-13(12-9-10-12)6-4-7-14(16)18/h4,6-7,12,15H,5,8-11H2,1-3H3.
What are the key properties of 1-tert-butyl-2-(2-cyclopropyl-6-fluorophenyl)pyrrolidine?
1-tert-butyl-2-(2-cyclopropyl-6-fluorophenyl)pyrrolidine has a molecular weight of 261.38 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-(2-cyclopropyl-6-fluorophenyl)pyrrolidine is sourced from PubChem (CID 158072717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).