(3S,4S)-3-(4-fluorophenyl)-3-methyl-4-(4-phenylphenyl)pyrrolidine

C23H22FN — CID 134498577

IUPAC(3S,4S)-3-(4-fluorophenyl)-3-methyl-4-(4-phenylphenyl)pyrrolidine
SMILESC[C@]1(c2ccc(F)cc2)CNC[C@H]1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H22FN/c1-23(20-11-13-21(24)14-12-20)16-25-15-22(23)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-14,22,25H,15-16H2,1H3/t22-,23+/m0/s1
InChIKeyNGDHHULADLOVGI-XZOQPEGZSA-N
MW331.43 g/mol
LogP5.14
Rot. Bonds3

About (3S,4S)-3-(4-fluorophenyl)-3-methyl-4-(4-phenylphenyl)pyrrolidine

(3S,4S)-3-(4-fluorophenyl)-3-methyl-4-(4-phenylphenyl)pyrrolidine (PubChem CID 134498577) has the molecular formula C23H22FN and a molecular weight of 331.43 g/mol. Its IUPAC name is (3S,4S)-3-(4-fluorophenyl)-3-methyl-4-(4-phenylphenyl)pyrrolidine.

Molecular Properties

Compound Name(3S,4S)-3-(4-fluorophenyl)-3-methyl-4-(4-phenylphenyl)pyrrolidine
PubChem CID134498577
Molecular FormulaC23H22FN
Molecular Weight331.43 g/mol
Exact Mass331.17
IUPAC Name(3S,4S)-3-(4-fluorophenyl)-3-methyl-4-(4-phenylphenyl)pyrrolidine
SMILESC[C@]1(c2ccc(F)cc2)CNC[C@H]1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H22FN/c1-23(20-11-13-21(24)14-12-20)16-25-15-22(23)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-14,22,25H,15-16H2,1H3/t22-,23+/m0/s1
InChIKeyNGDHHULADLOVGI-XZOQPEGZSA-N
XLogP5.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.43
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-(4-fluorophenyl)-3-methyl-4-(4-phenylphenyl)pyrrolidine?
The IUPAC name of (3S,4S)-3-(4-fluorophenyl)-3-methyl-4-(4-phenylphenyl)pyrrolidine (CID 134498577) is (3S,4S)-3-(4-fluorophenyl)-3-methyl-4-(4-phenylphenyl)pyrrolidine.
What is the SMILES notation for (3S,4S)-3-(4-fluorophenyl)-3-methyl-4-(4-phenylphenyl)pyrrolidine?
The canonical SMILES for (3S,4S)-3-(4-fluorophenyl)-3-methyl-4-(4-phenylphenyl)pyrrolidine is C[C@]1(c2ccc(F)cc2)CNC[C@H]1c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (3S,4S)-3-(4-fluorophenyl)-3-methyl-4-(4-phenylphenyl)pyrrolidine?
The InChIKey is NGDHHULADLOVGI-XZOQPEGZSA-N. The full InChI is InChI=1S/C23H22FN/c1-23(20-11-13-21(24)14-12-20)16-25-15-22(23)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-14,22,25H,15-16H2,1H3/t22-,23+/m0/s1.
What are the key properties of (3S,4S)-3-(4-fluorophenyl)-3-methyl-4-(4-phenylphenyl)pyrrolidine?
(3S,4S)-3-(4-fluorophenyl)-3-methyl-4-(4-phenylphenyl)pyrrolidine has a molecular weight of 331.43 g/mol, XLogP of 5.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-(4-fluorophenyl)-3-methyl-4-(4-phenylphenyl)pyrrolidine is sourced from PubChem (CID 134498577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).