(3R)-1-benzyl-3-(difluoromethyl)pyrrolidin-3-ol

C12H15F2NO — CID 134848788

IUPAC(3R)-1-benzyl-3-(difluoromethyl)pyrrolidin-3-ol
SMILESO[C@]1(C(F)F)CCN(Cc2ccccc2)C1
InChIInChI=1S/C12H15F2NO/c13-11(14)12(16)6-7-15(9-12)8-10-4-2-1-3-5-10/h1-5,11,16H,6-9H2/t12-/m1/s1
InChIKeyUSYQPLKMDDHNNU-GFCCVEGCSA-N
MW227.25 g/mol
LogP1.89
Rot. Bonds3

About (3R)-1-benzyl-3-(difluoromethyl)pyrrolidin-3-ol

(3R)-1-benzyl-3-(difluoromethyl)pyrrolidin-3-ol (PubChem CID 134848788) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is (3R)-1-benzyl-3-(difluoromethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-benzyl-3-(difluoromethyl)pyrrolidin-3-ol
PubChem CID134848788
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name(3R)-1-benzyl-3-(difluoromethyl)pyrrolidin-3-ol
SMILESO[C@]1(C(F)F)CCN(Cc2ccccc2)C1
InChIInChI=1S/C12H15F2NO/c13-11(14)12(16)6-7-15(9-12)8-10-4-2-1-3-5-10/h1-5,11,16H,6-9H2/t12-/m1/s1
InChIKeyUSYQPLKMDDHNNU-GFCCVEGCSA-N
XLogP1.89
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R)-1-benzyl-3-(difluoromethyl)pyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-1-benzyl-3-(difluoromethyl)pyrrolidin-3-ol?
The IUPAC name of (3R)-1-benzyl-3-(difluoromethyl)pyrrolidin-3-ol (CID 134848788) is (3R)-1-benzyl-3-(difluoromethyl)pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-benzyl-3-(difluoromethyl)pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-benzyl-3-(difluoromethyl)pyrrolidin-3-ol is O[C@]1(C(F)F)CCN(Cc2ccccc2)C1.
What is the InChIKey of (3R)-1-benzyl-3-(difluoromethyl)pyrrolidin-3-ol?
The InChIKey is USYQPLKMDDHNNU-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H15F2NO/c13-11(14)12(16)6-7-15(9-12)8-10-4-2-1-3-5-10/h1-5,11,16H,6-9H2/t12-/m1/s1.
What are the key properties of (3R)-1-benzyl-3-(difluoromethyl)pyrrolidin-3-ol?
(3R)-1-benzyl-3-(difluoromethyl)pyrrolidin-3-ol has a molecular weight of 227.25 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-benzyl-3-(difluoromethyl)pyrrolidin-3-ol is sourced from PubChem (CID 134848788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).