(3R,4S)-3-(4-fluorophenyl)-4-methyl-1-propan-2-ylpyrrolidine

C14H20FN — CID 58601309

IUPAC(3R,4S)-3-(4-fluorophenyl)-4-methyl-1-propan-2-ylpyrrolidine
SMILESCC(C)N1C[C@@H](C)[C@H](c2ccc(F)cc2)C1
InChIInChI=1S/C14H20FN/c1-10(2)16-8-11(3)14(9-16)12-4-6-13(15)7-5-12/h4-7,10-11,14H,8-9H2,1-3H3/t11-,14-/m1/s1
InChIKeyGKMWZLGIJKCGOP-BXUZGUMPSA-N
MW221.32 g/mol
LogP3.27
Rot. Bonds2

About (3R,4S)-3-(4-fluorophenyl)-4-methyl-1-propan-2-ylpyrrolidine

(3R,4S)-3-(4-fluorophenyl)-4-methyl-1-propan-2-ylpyrrolidine (PubChem CID 58601309) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is (3R,4S)-3-(4-fluorophenyl)-4-methyl-1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name(3R,4S)-3-(4-fluorophenyl)-4-methyl-1-propan-2-ylpyrrolidine
PubChem CID58601309
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC Name(3R,4S)-3-(4-fluorophenyl)-4-methyl-1-propan-2-ylpyrrolidine
SMILESCC(C)N1C[C@@H](C)[C@H](c2ccc(F)cc2)C1
InChIInChI=1S/C14H20FN/c1-10(2)16-8-11(3)14(9-16)12-4-6-13(15)7-5-12/h4-7,10-11,14H,8-9H2,1-3H3/t11-,14-/m1/s1
InChIKeyGKMWZLGIJKCGOP-BXUZGUMPSA-N
XLogP3.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-(4-fluorophenyl)-4-methyl-1-propan-2-ylpyrrolidine?
The IUPAC name of (3R,4S)-3-(4-fluorophenyl)-4-methyl-1-propan-2-ylpyrrolidine (CID 58601309) is (3R,4S)-3-(4-fluorophenyl)-4-methyl-1-propan-2-ylpyrrolidine.
What is the SMILES notation for (3R,4S)-3-(4-fluorophenyl)-4-methyl-1-propan-2-ylpyrrolidine?
The canonical SMILES for (3R,4S)-3-(4-fluorophenyl)-4-methyl-1-propan-2-ylpyrrolidine is CC(C)N1C[C@@H](C)[C@H](c2ccc(F)cc2)C1.
What is the InChIKey of (3R,4S)-3-(4-fluorophenyl)-4-methyl-1-propan-2-ylpyrrolidine?
The InChIKey is GKMWZLGIJKCGOP-BXUZGUMPSA-N. The full InChI is InChI=1S/C14H20FN/c1-10(2)16-8-11(3)14(9-16)12-4-6-13(15)7-5-12/h4-7,10-11,14H,8-9H2,1-3H3/t11-,14-/m1/s1.
What are the key properties of (3R,4S)-3-(4-fluorophenyl)-4-methyl-1-propan-2-ylpyrrolidine?
(3R,4S)-3-(4-fluorophenyl)-4-methyl-1-propan-2-ylpyrrolidine has a molecular weight of 221.32 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-(4-fluorophenyl)-4-methyl-1-propan-2-ylpyrrolidine is sourced from PubChem (CID 58601309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).