(4R)-3,3-difluoro-2-(3-fluorophenyl)-4-methylpyrrolidine

C11H12F3N — CID 66684519

IUPAC(4R)-3,3-difluoro-2-(3-fluorophenyl)-4-methylpyrrolidine
SMILESC[C@@H]1CNC(c2cccc(F)c2)C1(F)F
InChIInChI=1S/C11H12F3N/c1-7-6-15-10(11(7,13)14)8-3-2-4-9(12)5-8/h2-5,7,10,15H,6H2,1H3/t7-,10?/m1/s1
InChIKeySTPFQVJCKGHANA-PVSHWOEXSA-N
MW215.22 g/mol
LogP2.74
Rot. Bonds1

About (4R)-3,3-difluoro-2-(3-fluorophenyl)-4-methylpyrrolidine

(4R)-3,3-difluoro-2-(3-fluorophenyl)-4-methylpyrrolidine (PubChem CID 66684519) has the molecular formula C11H12F3N and a molecular weight of 215.22 g/mol. Its IUPAC name is (4R)-3,3-difluoro-2-(3-fluorophenyl)-4-methylpyrrolidine.

Molecular Properties

Compound Name(4R)-3,3-difluoro-2-(3-fluorophenyl)-4-methylpyrrolidine
PubChem CID66684519
Molecular FormulaC11H12F3N
Molecular Weight215.22 g/mol
Exact Mass215.09
IUPAC Name(4R)-3,3-difluoro-2-(3-fluorophenyl)-4-methylpyrrolidine
SMILESC[C@@H]1CNC(c2cccc(F)c2)C1(F)F
InChIInChI=1S/C11H12F3N/c1-7-6-15-10(11(7,13)14)8-3-2-4-9(12)5-8/h2-5,7,10,15H,6H2,1H3/t7-,10?/m1/s1
InChIKeySTPFQVJCKGHANA-PVSHWOEXSA-N
XLogP2.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-fluorophenyl)-2,5-dihydro-1H-imidazole
CID 90829090
2-(3-fluorophenyl)-3,6-dimethylmorpholine
CID 114872193
2-(3-fluorophenyl)-3-methylpyrrolidine
CID 3582862
2-(3-fluorophenyl)-3,6-dimethyl-1,4-oxazepane
CID 114872204
(1R,5S)-2,4-bis(3-fluorophenyl)-1,5-dimethyl-3-azabicyclo[3.3.1]nonan-9-one
CID 10618184
2,4,6-tris(3-fluorophenyl)piperidine-3,3,5,5-tetracarbonitrile
CID 134811916
[(2S,3R)-3-(3-fluorophenyl)pyrrolidin-2-yl]methanol
CID 131114074
2-(3-fluorophenyl)azetidine-3-carboxylic acid
CID 105448727
6-(3-fluorophenyl)-2,2-dimethylpiperazine
CID 82395314
5-(3-fluorophenyl)-11-methyl-3-azaspiro[5.5]undecane
CID 79433045
2-(3-fluorophenyl)-3-methyl-6-propan-2-ylmorpholine
CID 114872237
6-ethyl-2-(3-fluorophenyl)-3-methylmorpholine
CID 114872236

Frequently Asked Questions

What is the IUPAC name of (4R)-3,3-difluoro-2-(3-fluorophenyl)-4-methylpyrrolidine?
The IUPAC name of (4R)-3,3-difluoro-2-(3-fluorophenyl)-4-methylpyrrolidine (CID 66684519) is (4R)-3,3-difluoro-2-(3-fluorophenyl)-4-methylpyrrolidine.
What is the SMILES notation for (4R)-3,3-difluoro-2-(3-fluorophenyl)-4-methylpyrrolidine?
The canonical SMILES for (4R)-3,3-difluoro-2-(3-fluorophenyl)-4-methylpyrrolidine is C[C@@H]1CNC(c2cccc(F)c2)C1(F)F.
What is the InChIKey of (4R)-3,3-difluoro-2-(3-fluorophenyl)-4-methylpyrrolidine?
The InChIKey is STPFQVJCKGHANA-PVSHWOEXSA-N. The full InChI is InChI=1S/C11H12F3N/c1-7-6-15-10(11(7,13)14)8-3-2-4-9(12)5-8/h2-5,7,10,15H,6H2,1H3/t7-,10?/m1/s1.
What are the key properties of (4R)-3,3-difluoro-2-(3-fluorophenyl)-4-methylpyrrolidine?
(4R)-3,3-difluoro-2-(3-fluorophenyl)-4-methylpyrrolidine has a molecular weight of 215.22 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3,3-difluoro-2-(3-fluorophenyl)-4-methylpyrrolidine is sourced from PubChem (CID 66684519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).