4-[(2S)-2-[fluoro(diphenyl)methyl]pyrrolidin-1-yl]pyridine

C22H21FN2 — CID 102133636

IUPAC4-[(2S)-2-[fluoro(diphenyl)methyl]pyrrolidin-1-yl]pyridine
SMILESFC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1c1ccncc1
InChIInChI=1S/C22H21FN2/c23-22(18-8-3-1-4-9-18,19-10-5-2-6-11-19)21-12-7-17-25(21)20-13-15-24-16-14-20/h1-6,8-11,13-16,21H,7,12,17H2/t21-/m0/s1
InChIKeyOMEGOEHZPKDZLL-NRFANRHFSA-N
MW332.42 g/mol
LogP4.96
Rot. Bonds4

About 4-[(2S)-2-[fluoro(diphenyl)methyl]pyrrolidin-1-yl]pyridine

4-[(2S)-2-[fluoro(diphenyl)methyl]pyrrolidin-1-yl]pyridine (PubChem CID 102133636) has the molecular formula C22H21FN2 and a molecular weight of 332.42 g/mol. Its IUPAC name is 4-[(2S)-2-[fluoro(diphenyl)methyl]pyrrolidin-1-yl]pyridine.

Molecular Properties

Compound Name4-[(2S)-2-[fluoro(diphenyl)methyl]pyrrolidin-1-yl]pyridine
PubChem CID102133636
Molecular FormulaC22H21FN2
Molecular Weight332.42 g/mol
Exact Mass332.17
IUPAC Name4-[(2S)-2-[fluoro(diphenyl)methyl]pyrrolidin-1-yl]pyridine
SMILESFC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1c1ccncc1
InChIInChI=1S/C22H21FN2/c23-22(18-8-3-1-4-9-18,19-10-5-2-6-11-19)21-12-7-17-25(21)20-13-15-24-16-14-20/h1-6,8-11,13-16,21H,7,12,17H2/t21-/m0/s1
InChIKeyOMEGOEHZPKDZLL-NRFANRHFSA-N
XLogP4.96
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

diphenyl-(1-pyridin-4-ylpyrrolidin-2-yl)methanol
CID 165347320
1-phenyl-2-(trifluoromethyl)pyrrolidine
CID 46193758
1-phenyl-2-(trifluoromethyl)piperidine
CID 144718854
4-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine
CID 62274954
3-(1-pyridin-4-ylpyrrolidin-2-yl)propan-1-amine
CID 63758931
2-pyridin-2-yl-N-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]acetamide
CID 70797932
1-[(4aR,9aR)-1-phenyl-3,4,4a,6,7,8,9,9a-octahydro-2H-pyrido[3,2-b]azepin-5-yl]-2,2,2-trifluoroethanone
CID 178143484
4-[4-(trifluoromethyl)phenyl]-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinazoline
CID 155665749
1-(4-pyridin-4-ylphenyl)-3-(trifluoromethyl)piperidine-2-carboxamide
CID 175295924
3-cyclopentyl-2-(1-pyridin-4-ylpyrrolidin-2-yl)quinazolin-4-one
CID 126949917
(1-pyridin-4-ylazepan-2-yl)methanamine
CID 116640201
1-phenyl-N-(1-phenylpyrrolidin-2-yl)pyrrolidin-2-amine
CID 175548020

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-[fluoro(diphenyl)methyl]pyrrolidin-1-yl]pyridine?
The IUPAC name of 4-[(2S)-2-[fluoro(diphenyl)methyl]pyrrolidin-1-yl]pyridine (CID 102133636) is 4-[(2S)-2-[fluoro(diphenyl)methyl]pyrrolidin-1-yl]pyridine.
What is the SMILES notation for 4-[(2S)-2-[fluoro(diphenyl)methyl]pyrrolidin-1-yl]pyridine?
The canonical SMILES for 4-[(2S)-2-[fluoro(diphenyl)methyl]pyrrolidin-1-yl]pyridine is FC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1c1ccncc1.
What is the InChIKey of 4-[(2S)-2-[fluoro(diphenyl)methyl]pyrrolidin-1-yl]pyridine?
The InChIKey is OMEGOEHZPKDZLL-NRFANRHFSA-N. The full InChI is InChI=1S/C22H21FN2/c23-22(18-8-3-1-4-9-18,19-10-5-2-6-11-19)21-12-7-17-25(21)20-13-15-24-16-14-20/h1-6,8-11,13-16,21H,7,12,17H2/t21-/m0/s1.
What are the key properties of 4-[(2S)-2-[fluoro(diphenyl)methyl]pyrrolidin-1-yl]pyridine?
4-[(2S)-2-[fluoro(diphenyl)methyl]pyrrolidin-1-yl]pyridine has a molecular weight of 332.42 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-[fluoro(diphenyl)methyl]pyrrolidin-1-yl]pyridine is sourced from PubChem (CID 102133636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).