(2R,3S)-2-(3-fluorophenyl)-3-phenylpyrrolidine

C16H16FN — CID 101397690

IUPAC(2R,3S)-2-(3-fluorophenyl)-3-phenylpyrrolidine
SMILESFc1cccc([C@@H]2NCC[C@H]2c2ccccc2)c1
InChIInChI=1S/C16H16FN/c17-14-8-4-7-13(11-14)16-15(9-10-18-16)12-5-2-1-3-6-12/h1-8,11,15-16,18H,9-10H2/t15-,16-/m0/s1
InChIKeyKKMRRCDLLZVTLH-HOTGVXAUSA-N
MW241.31 g/mol
LogP3.64
Rot. Bonds2

About (2R,3S)-2-(3-fluorophenyl)-3-phenylpyrrolidine

(2R,3S)-2-(3-fluorophenyl)-3-phenylpyrrolidine (PubChem CID 101397690) has the molecular formula C16H16FN and a molecular weight of 241.31 g/mol. Its IUPAC name is (2R,3S)-2-(3-fluorophenyl)-3-phenylpyrrolidine.

Molecular Properties

Compound Name(2R,3S)-2-(3-fluorophenyl)-3-phenylpyrrolidine
PubChem CID101397690
Molecular FormulaC16H16FN
Molecular Weight241.31 g/mol
Exact Mass241.13
IUPAC Name(2R,3S)-2-(3-fluorophenyl)-3-phenylpyrrolidine
SMILESFc1cccc([C@@H]2NCC[C@H]2c2ccccc2)c1
InChIInChI=1S/C16H16FN/c17-14-8-4-7-13(11-14)16-15(9-10-18-16)12-5-2-1-3-6-12/h1-8,11,15-16,18H,9-10H2/t15-,16-/m0/s1
InChIKeyKKMRRCDLLZVTLH-HOTGVXAUSA-N
XLogP3.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-fluorophenyl)-3-methylpyrrolidine
CID 3582862
2-(3,4-dimethylphenyl)-3-phenylpyrrolidine
CID 64689458
3-ethyl-2-(3-fluorophenyl)pyrrolidine
CID 3903134
(2R,3S)-3-(3-fluorophenyl)pyrrolidine-2-carboxylic acid
CID 97001038
3-[3-(difluoromethyl)phenyl]-2-phenylpyrrolidine
CID 115528319
2-phenyl-3-[4-(trifluoromethyl)phenyl]pyrrolidine
CID 62718282
[(2S,3R)-3-(3-fluorophenyl)pyrrolidin-2-yl]methanol
CID 131114074
2-(benzenesulfonyl)-3-(3-fluorophenyl)pyrrolidine
CID 174374754
3-(3,4-dimethylphenyl)-2-phenylpyrrolidine
CID 62718437
3-fluoro-4-(3-fluorophenyl)piperidine
CID 83855496
2-(3-fluorophenyl)cyclobutan-1-amine
CID 81014796
2-phenyl-3-(4-propan-2-yloxyphenyl)pyrrolidine
CID 62718142

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-(3-fluorophenyl)-3-phenylpyrrolidine?
The IUPAC name of (2R,3S)-2-(3-fluorophenyl)-3-phenylpyrrolidine (CID 101397690) is (2R,3S)-2-(3-fluorophenyl)-3-phenylpyrrolidine.
What is the SMILES notation for (2R,3S)-2-(3-fluorophenyl)-3-phenylpyrrolidine?
The canonical SMILES for (2R,3S)-2-(3-fluorophenyl)-3-phenylpyrrolidine is Fc1cccc([C@@H]2NCC[C@H]2c2ccccc2)c1.
What is the InChIKey of (2R,3S)-2-(3-fluorophenyl)-3-phenylpyrrolidine?
The InChIKey is KKMRRCDLLZVTLH-HOTGVXAUSA-N. The full InChI is InChI=1S/C16H16FN/c17-14-8-4-7-13(11-14)16-15(9-10-18-16)12-5-2-1-3-6-12/h1-8,11,15-16,18H,9-10H2/t15-,16-/m0/s1.
What are the key properties of (2R,3S)-2-(3-fluorophenyl)-3-phenylpyrrolidine?
(2R,3S)-2-(3-fluorophenyl)-3-phenylpyrrolidine has a molecular weight of 241.31 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-(3-fluorophenyl)-3-phenylpyrrolidine is sourced from PubChem (CID 101397690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).