bis(2,4-difluorophenyl)-pyrrolidin-2-ylmethanol

C17H15F4NO — CID 123504254

IUPACbis(2,4-difluorophenyl)-pyrrolidin-2-ylmethanol
SMILESOC(c1ccc(F)cc1F)(c1ccc(F)cc1F)C1CCCN1
InChIInChI=1S/C17H15F4NO/c18-10-3-5-12(14(20)8-10)17(23,16-2-1-7-22-16)13-6-4-11(19)9-15(13)21/h3-6,8-9,16,22-23H,1-2,7H2
InChIKeyGEBHILKIJGENBQ-UHFFFAOYSA-N
MW325.31 g/mol
LogP3.23
Rot. Bonds3

About bis(2,4-difluorophenyl)-pyrrolidin-2-ylmethanol

bis(2,4-difluorophenyl)-pyrrolidin-2-ylmethanol (PubChem CID 123504254) has the molecular formula C17H15F4NO and a molecular weight of 325.31 g/mol. Its IUPAC name is bis(2,4-difluorophenyl)-pyrrolidin-2-ylmethanol.

Molecular Properties

Compound Namebis(2,4-difluorophenyl)-pyrrolidin-2-ylmethanol
PubChem CID123504254
Molecular FormulaC17H15F4NO
Molecular Weight325.31 g/mol
Exact Mass325.11
IUPAC Namebis(2,4-difluorophenyl)-pyrrolidin-2-ylmethanol
SMILESOC(c1ccc(F)cc1F)(c1ccc(F)cc1F)C1CCCN1
InChIInChI=1S/C17H15F4NO/c18-10-3-5-12(14(20)8-10)17(23,16-2-1-7-22-16)13-6-4-11(19)9-15(13)21/h3-6,8-9,16,22-23H,1-2,7H2
InChIKeyGEBHILKIJGENBQ-UHFFFAOYSA-N
XLogP3.23
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.31
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

bis(4-fluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol
CID 6544419
bis(3,4-difluorophenyl)-[(2R)-pyrrolidin-2-yl]methanol;hydrochloride
CID 45357010
2-[2-(2,4-difluorophenyl)-2,2-difluoroethyl]piperidine
CID 116840282
alpha,alpha-Diphenyl-2-pyrrolidinemethanol borane
CID 19782534
1-cyclopropyl-1-(2,4-difluorophenyl)ethanol
CID 24749679
1-(4-fluoro-3-methylphenyl)-1-pyrrolidin-2-ylethanol
CID 82287159
bis(4-methylphenyl)-pyrrolidin-2-ylmethanol
CID 14813972
(2S)-2-(2,5-difluorophenyl)pyrrolidine
CID 7176288
dinaphthalen-2-yl-[(2S)-pyrrolidin-2-yl]methanol
CID 2733810
bis(3,5-diphenylphenyl)-[(2R)-pyrrolidin-2-yl]methanol
CID 59628921
(3,5-dimethylphenyl)-[3-methyl-5-(trifluoromethyl)phenyl]-[(2R)-pyrrolidin-2-yl]methanol
CID 59628696
2-[2-(2-fluorophenyl)propan-2-yl]pyrrolidine
CID 83909049

Frequently Asked Questions

What is the IUPAC name of bis(2,4-difluorophenyl)-pyrrolidin-2-ylmethanol?
The IUPAC name of bis(2,4-difluorophenyl)-pyrrolidin-2-ylmethanol (CID 123504254) is bis(2,4-difluorophenyl)-pyrrolidin-2-ylmethanol.
What is the SMILES notation for bis(2,4-difluorophenyl)-pyrrolidin-2-ylmethanol?
The canonical SMILES for bis(2,4-difluorophenyl)-pyrrolidin-2-ylmethanol is OC(c1ccc(F)cc1F)(c1ccc(F)cc1F)C1CCCN1.
What is the InChIKey of bis(2,4-difluorophenyl)-pyrrolidin-2-ylmethanol?
The InChIKey is GEBHILKIJGENBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F4NO/c18-10-3-5-12(14(20)8-10)17(23,16-2-1-7-22-16)13-6-4-11(19)9-15(13)21/h3-6,8-9,16,22-23H,1-2,7H2.
What are the key properties of bis(2,4-difluorophenyl)-pyrrolidin-2-ylmethanol?
bis(2,4-difluorophenyl)-pyrrolidin-2-ylmethanol has a molecular weight of 325.31 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,4-difluorophenyl)-pyrrolidin-2-ylmethanol is sourced from PubChem (CID 123504254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).