(1R,2R)-2-(2,3-difluorophenyl)-2-(3-fluorophenyl)-1-[(2R)-1-methylpyrrolidin-2-yl]ethanol

C19H20F3NO — CID 170283190

IUPAC(1R,2R)-2-(2,3-difluorophenyl)-2-(3-fluorophenyl)-1-[(2R)-1-methylpyrrolidin-2-yl]ethanol
SMILESCN1CCC[C@@H]1[C@H](O)[C@H](c1cccc(F)c1)c1cccc(F)c1F
InChIInChI=1S/C19H20F3NO/c1-23-10-4-9-16(23)19(24)17(12-5-2-6-13(20)11-12)14-7-3-8-15(21)18(14)22/h2-3,5-8,11,16-17,19,24H,4,9-10H2,1H3/t16-,17-,19+/m1/s1
InChIKeyLBEDDJLXZDSUPO-LMMKCTJWSA-N
MW335.37 g/mol
LogP3.69
Rot. Bonds4

About (1R,2R)-2-(2,3-difluorophenyl)-2-(3-fluorophenyl)-1-[(2R)-1-methylpyrrolidin-2-yl]ethanol

(1R,2R)-2-(2,3-difluorophenyl)-2-(3-fluorophenyl)-1-[(2R)-1-methylpyrrolidin-2-yl]ethanol (PubChem CID 170283190) has the molecular formula C19H20F3NO and a molecular weight of 335.37 g/mol. Its IUPAC name is (1R,2R)-2-(2,3-difluorophenyl)-2-(3-fluorophenyl)-1-[(2R)-1-methylpyrrolidin-2-yl]ethanol.

Molecular Properties

Compound Name(1R,2R)-2-(2,3-difluorophenyl)-2-(3-fluorophenyl)-1-[(2R)-1-methylpyrrolidin-2-yl]ethanol
PubChem CID170283190
Molecular FormulaC19H20F3NO
Molecular Weight335.37 g/mol
Exact Mass335.15
IUPAC Name(1R,2R)-2-(2,3-difluorophenyl)-2-(3-fluorophenyl)-1-[(2R)-1-methylpyrrolidin-2-yl]ethanol
SMILESCN1CCC[C@@H]1[C@H](O)[C@H](c1cccc(F)c1)c1cccc(F)c1F
InChIInChI=1S/C19H20F3NO/c1-23-10-4-9-16(23)19(24)17(12-5-2-6-13(20)11-12)14-7-3-8-15(21)18(14)22/h2-3,5-8,11,16-17,19,24H,4,9-10H2,1H3/t16-,17-,19+/m1/s1
InChIKeyLBEDDJLXZDSUPO-LMMKCTJWSA-N
XLogP3.69
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,2R)-2-(2,3-difluorophenyl)-2-(3-fluorophenyl)-1-[(2R)-1-methylpyrrolidin-2-yl]ethanol with MolForge

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Related Compounds

benzyl (2R)-2-[(1R,2R)-2-(2,3-difluorophenyl)-2-(3-fluorophenyl)-1-methylsulfonyloxyethyl]pyrrolidine-1-carboxylate
CID 155656442
tert-butyl (2R)-2-[(1R,2R)-2-(3-fluorophenyl)-1-hydroxy-2-phenylethyl]pyrrolidine-1-carboxylate
CID 134282138
2-(3-fluorophenyl)-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethanamine
CID 81199314
[2-(2,3-difluorophenyl)-2-(3-fluorophenyl)-1-pyrrolidin-2-ylethyl] methanesulfonate
CID 155434252
1-(3-fluorophenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-ol
CID 62645250
(1-tert-butylpiperidin-3-yl)-(3-fluorophenyl)methanol
CID 68900380
(2-fluoro-3-methylphenyl)-(3-fluorophenyl)methanol
CID 114978614
2-benzhydryl-1-methylpyrrolidine
CID 71178925
tert-butyl (2R)-2-[(1S,2S)-2-(2-fluorophenyl)-1-hydroxy-2-phenylethyl]pyrrolidine-1-carboxylate
CID 134297889
[(2S)-1-methylpiperidin-2-yl]-phenylmethanol
CID 67164631
(2-cyclopropylphenyl)-(3-fluorophenyl)methanol
CID 79982940
cyclopentyl-(2,3-difluorophenyl)methanol
CID 63894572

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-2-(2,3-difluorophenyl)-2-(3-fluorophenyl)-1-[(2R)-1-methylpyrrolidin-2-yl]ethanol?
The IUPAC name of (1R,2R)-2-(2,3-difluorophenyl)-2-(3-fluorophenyl)-1-[(2R)-1-methylpyrrolidin-2-yl]ethanol (CID 170283190) is (1R,2R)-2-(2,3-difluorophenyl)-2-(3-fluorophenyl)-1-[(2R)-1-methylpyrrolidin-2-yl]ethanol.
What is the SMILES notation for (1R,2R)-2-(2,3-difluorophenyl)-2-(3-fluorophenyl)-1-[(2R)-1-methylpyrrolidin-2-yl]ethanol?
The canonical SMILES for (1R,2R)-2-(2,3-difluorophenyl)-2-(3-fluorophenyl)-1-[(2R)-1-methylpyrrolidin-2-yl]ethanol is CN1CCC[C@@H]1[C@H](O)[C@H](c1cccc(F)c1)c1cccc(F)c1F.
What is the InChIKey of (1R,2R)-2-(2,3-difluorophenyl)-2-(3-fluorophenyl)-1-[(2R)-1-methylpyrrolidin-2-yl]ethanol?
The InChIKey is LBEDDJLXZDSUPO-LMMKCTJWSA-N. The full InChI is InChI=1S/C19H20F3NO/c1-23-10-4-9-16(23)19(24)17(12-5-2-6-13(20)11-12)14-7-3-8-15(21)18(14)22/h2-3,5-8,11,16-17,19,24H,4,9-10H2,1H3/t16-,17-,19+/m1/s1.
What are the key properties of (1R,2R)-2-(2,3-difluorophenyl)-2-(3-fluorophenyl)-1-[(2R)-1-methylpyrrolidin-2-yl]ethanol?
(1R,2R)-2-(2,3-difluorophenyl)-2-(3-fluorophenyl)-1-[(2R)-1-methylpyrrolidin-2-yl]ethanol has a molecular weight of 335.37 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-(2,3-difluorophenyl)-2-(3-fluorophenyl)-1-[(2R)-1-methylpyrrolidin-2-yl]ethanol is sourced from PubChem (CID 170283190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).