(4S)-1-tert-butyl-2-(2-cyclopropylphenyl)-4-fluoropyrrolidine

C17H24FN — CID 167249143

IUPAC(4S)-1-tert-butyl-2-(2-cyclopropylphenyl)-4-fluoropyrrolidine
SMILESCC(C)(C)N1C[C@@H](F)CC1c1ccccc1C1CC1
InChIInChI=1S/C17H24FN/c1-17(2,3)19-11-13(18)10-16(19)15-7-5-4-6-14(15)12-8-9-12/h4-7,12-13,16H,8-11H2,1-3H3/t13-,16?/m0/s1
InChIKeyAHRPLEJTTLEEBG-KNVGNIICSA-N
MW261.38 g/mol
LogP4.45
Rot. Bonds2

About (4S)-1-tert-butyl-2-(2-cyclopropylphenyl)-4-fluoropyrrolidine

(4S)-1-tert-butyl-2-(2-cyclopropylphenyl)-4-fluoropyrrolidine (PubChem CID 167249143) has the molecular formula C17H24FN and a molecular weight of 261.38 g/mol. Its IUPAC name is (4S)-1-tert-butyl-2-(2-cyclopropylphenyl)-4-fluoropyrrolidine.

Molecular Properties

Compound Name(4S)-1-tert-butyl-2-(2-cyclopropylphenyl)-4-fluoropyrrolidine
PubChem CID167249143
Molecular FormulaC17H24FN
Molecular Weight261.38 g/mol
Exact Mass261.19
IUPAC Name(4S)-1-tert-butyl-2-(2-cyclopropylphenyl)-4-fluoropyrrolidine
SMILESCC(C)(C)N1C[C@@H](F)CC1c1ccccc1C1CC1
InChIInChI=1S/C17H24FN/c1-17(2,3)19-11-13(18)10-16(19)15-7-5-4-6-14(15)12-8-9-12/h4-7,12-13,16H,8-11H2,1-3H3/t13-,16?/m0/s1
InChIKeyAHRPLEJTTLEEBG-KNVGNIICSA-N
XLogP4.45
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 ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4S)-1-tert-butyl-2-(2-cyclopropylphenyl)-4-fluoropyrrolidine?
The IUPAC name of (4S)-1-tert-butyl-2-(2-cyclopropylphenyl)-4-fluoropyrrolidine (CID 167249143) is (4S)-1-tert-butyl-2-(2-cyclopropylphenyl)-4-fluoropyrrolidine.
What is the SMILES notation for (4S)-1-tert-butyl-2-(2-cyclopropylphenyl)-4-fluoropyrrolidine?
The canonical SMILES for (4S)-1-tert-butyl-2-(2-cyclopropylphenyl)-4-fluoropyrrolidine is CC(C)(C)N1C[C@@H](F)CC1c1ccccc1C1CC1.
What is the InChIKey of (4S)-1-tert-butyl-2-(2-cyclopropylphenyl)-4-fluoropyrrolidine?
The InChIKey is AHRPLEJTTLEEBG-KNVGNIICSA-N. The full InChI is InChI=1S/C17H24FN/c1-17(2,3)19-11-13(18)10-16(19)15-7-5-4-6-14(15)12-8-9-12/h4-7,12-13,16H,8-11H2,1-3H3/t13-,16?/m0/s1.
What are the key properties of (4S)-1-tert-butyl-2-(2-cyclopropylphenyl)-4-fluoropyrrolidine?
(4S)-1-tert-butyl-2-(2-cyclopropylphenyl)-4-fluoropyrrolidine has a molecular weight of 261.38 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-tert-butyl-2-(2-cyclopropylphenyl)-4-fluoropyrrolidine is sourced from PubChem (CID 167249143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).