bis(4-fluorophenyl)-[(2S)-1-methylpyrrolidin-2-yl]methanol

C18H19F2NO — CID 71739060

IUPACbis(4-fluorophenyl)-[(2S)-1-methylpyrrolidin-2-yl]methanol
SMILESCN1CCC[C@H]1C(O)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C18H19F2NO/c1-21-12-2-3-17(21)18(22,13-4-8-15(19)9-5-13)14-6-10-16(20)11-7-14/h4-11,17,22H,2-3,12H2,1H3/t17-/m0/s1
InChIKeyHHERHXSYRQBUHZ-KRWDZBQOSA-N
MW303.35 g/mol
LogP3.29
Rot. Bonds3

About bis(4-fluorophenyl)-[(2S)-1-methylpyrrolidin-2-yl]methanol

bis(4-fluorophenyl)-[(2S)-1-methylpyrrolidin-2-yl]methanol (PubChem CID 71739060) has the molecular formula C18H19F2NO and a molecular weight of 303.35 g/mol. Its IUPAC name is bis(4-fluorophenyl)-[(2S)-1-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Namebis(4-fluorophenyl)-[(2S)-1-methylpyrrolidin-2-yl]methanol
PubChem CID71739060
Molecular FormulaC18H19F2NO
Molecular Weight303.35 g/mol
Exact Mass303.14
IUPAC Namebis(4-fluorophenyl)-[(2S)-1-methylpyrrolidin-2-yl]methanol
SMILESCN1CCC[C@H]1C(O)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C18H19F2NO/c1-21-12-2-3-17(21)18(22,13-4-8-15(19)9-5-13)14-6-10-16(20)11-7-14/h4-11,17,22H,2-3,12H2,1H3/t17-/m0/s1
InChIKeyHHERHXSYRQBUHZ-KRWDZBQOSA-N
XLogP3.29
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Procyclidine
CID 4919
Procyclidine hydrochloride
CID 207841
alpha-Phenyl-alpha-(3-(1-pyrrolidinyl)-1-propyn-1-yl)benzenemethanol
CID 68943
(R)-Procyclidine
CID 207838
Diphenylprolinol
CID 204386
2-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1,1-diphenylethanol
CID 66875589
2-[(1R,5S)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl]-1,1-diphenylethanol bromide
CID 69058945
4-(2-Methyl-pyrrolidin-1-yl)-1,1-diphenyl-but-2-yn-1-ol
CID 16682316
Pyrrolidinium, 1-(3-cyclohexyl-3-hydroxy-3-phenylpropyl)-1-methyl-, chloride (1:1)
CID 72169
alpha-(2-(Dimethylamino)ethyl)-alpha-phenylbenzenemethanol
CID 199511
(1-Methylpyrrolidin-2-yl)-diphenylmethanol
CID 204388
2-Pyrrolidinemethanol, alpha,alpha-diphenyl-, (S)-
CID 2724899

Frequently Asked Questions

What is the IUPAC name of bis(4-fluorophenyl)-[(2S)-1-methylpyrrolidin-2-yl]methanol?
The IUPAC name of bis(4-fluorophenyl)-[(2S)-1-methylpyrrolidin-2-yl]methanol (CID 71739060) is bis(4-fluorophenyl)-[(2S)-1-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for bis(4-fluorophenyl)-[(2S)-1-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for bis(4-fluorophenyl)-[(2S)-1-methylpyrrolidin-2-yl]methanol is CN1CCC[C@H]1C(O)(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of bis(4-fluorophenyl)-[(2S)-1-methylpyrrolidin-2-yl]methanol?
The InChIKey is HHERHXSYRQBUHZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H19F2NO/c1-21-12-2-3-17(21)18(22,13-4-8-15(19)9-5-13)14-6-10-16(20)11-7-14/h4-11,17,22H,2-3,12H2,1H3/t17-/m0/s1.
What are the key properties of bis(4-fluorophenyl)-[(2S)-1-methylpyrrolidin-2-yl]methanol?
bis(4-fluorophenyl)-[(2S)-1-methylpyrrolidin-2-yl]methanol has a molecular weight of 303.35 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-fluorophenyl)-[(2S)-1-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 71739060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).