1-benzyl-2,2-difluoropyrrolidin-3-ol

C11H13F2NO — CID 118095392

IUPAC1-benzyl-2,2-difluoropyrrolidin-3-ol
SMILESOC1CCN(Cc2ccccc2)C1(F)F
InChIInChI=1S/C11H13F2NO/c12-11(13)10(15)6-7-14(11)8-9-4-2-1-3-5-9/h1-5,10,15H,6-8H2
InChIKeyBBPGVHCOLVGXRD-UHFFFAOYSA-N
MW213.23 g/mol
LogP1.85
Rot. Bonds2

About 1-benzyl-2,2-difluoropyrrolidin-3-ol

1-benzyl-2,2-difluoropyrrolidin-3-ol (PubChem CID 118095392) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is 1-benzyl-2,2-difluoropyrrolidin-3-ol.

Molecular Properties

Compound Name1-benzyl-2,2-difluoropyrrolidin-3-ol
PubChem CID118095392
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name1-benzyl-2,2-difluoropyrrolidin-3-ol
SMILESOC1CCN(Cc2ccccc2)C1(F)F
InChIInChI=1S/C11H13F2NO/c12-11(13)10(15)6-7-14(11)8-9-4-2-1-3-5-9/h1-5,10,15H,6-8H2
InChIKeyBBPGVHCOLVGXRD-UHFFFAOYSA-N
XLogP1.85
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-2,2-dimethylpyrrolidin-3-ol
CID 83848241
(3R,4S)-1-benzyl-3-methylpiperidine-3,4-diol
CID 69332909
1-benzyl-3-bromo-2,2-dimethylpyrrolidine
CID 130979463
(1R,5S)-2-benzyl-1-methyl-2-azabicyclo[3.1.0]hexane
CID 101450566
7-benzyl-7-azaspiro[4.5]decan-10-ol
CID 82384805
2-(1-benzyl-2,2-dimethylpyrrolidin-3-yl)acetic acid
CID 83851242
9-benzyl-4,4-difluoro-9-azabicyclo[4.2.1]nonan-3-ol
CID 171936921
1-benzyl-3,3-difluoro-4-hydroxypyrrolidin-2-one
CID 131329119
[(1S)-2-benzyl-2-azabicyclo[3.1.0]hexan-1-yl]methanamine;dihydrochloride
CID 171036079
1-benzyl-N,2,2-trimethylpiperidin-4-amine
CID 117020178
(3S,5R)-1-benzyl-4,4-difluoro-5-(hydroxymethyl)piperidin-3-ol
CID 42612420
6-benzyl-6-azaspiro[2.5]octan-8-ol
CID 66783213

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2,2-difluoropyrrolidin-3-ol?
The IUPAC name of 1-benzyl-2,2-difluoropyrrolidin-3-ol (CID 118095392) is 1-benzyl-2,2-difluoropyrrolidin-3-ol.
What is the SMILES notation for 1-benzyl-2,2-difluoropyrrolidin-3-ol?
The canonical SMILES for 1-benzyl-2,2-difluoropyrrolidin-3-ol is OC1CCN(Cc2ccccc2)C1(F)F.
What is the InChIKey of 1-benzyl-2,2-difluoropyrrolidin-3-ol?
The InChIKey is BBPGVHCOLVGXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO/c12-11(13)10(15)6-7-14(11)8-9-4-2-1-3-5-9/h1-5,10,15H,6-8H2.
What are the key properties of 1-benzyl-2,2-difluoropyrrolidin-3-ol?
1-benzyl-2,2-difluoropyrrolidin-3-ol has a molecular weight of 213.23 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2,2-difluoropyrrolidin-3-ol is sourced from PubChem (CID 118095392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).