3,3-difluoro-4-[(2-fluorophenyl)methyl]pyrrolidine

C11H12F3N — CID 84680894

IUPAC3,3-difluoro-4-[(2-fluorophenyl)methyl]pyrrolidine
SMILESFc1ccccc1CC1CNCC1(F)F
InChIInChI=1S/C11H12F3N/c12-10-4-2-1-3-8(10)5-9-6-15-7-11(9,13)14/h1-4,9,15H,5-7H2
InChIKeyNKEAJMWFKDRZEZ-UHFFFAOYSA-N
MW215.22 g/mol
LogP2.22
Rot. Bonds2

About 3,3-difluoro-4-[(2-fluorophenyl)methyl]pyrrolidine

3,3-difluoro-4-[(2-fluorophenyl)methyl]pyrrolidine (PubChem CID 84680894) has the molecular formula C11H12F3N and a molecular weight of 215.22 g/mol. Its IUPAC name is 3,3-difluoro-4-[(2-fluorophenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name3,3-difluoro-4-[(2-fluorophenyl)methyl]pyrrolidine
PubChem CID84680894
Molecular FormulaC11H12F3N
Molecular Weight215.22 g/mol
Exact Mass215.09
IUPAC Name3,3-difluoro-4-[(2-fluorophenyl)methyl]pyrrolidine
SMILESFc1ccccc1CC1CNCC1(F)F
InChIInChI=1S/C11H12F3N/c12-10-4-2-1-3-8(10)5-9-6-15-7-11(9,13)14/h1-4,9,15H,5-7H2
InChIKeyNKEAJMWFKDRZEZ-UHFFFAOYSA-N
XLogP2.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-4-[(2-fluorophenyl)methyl]pyrrolidine?
The IUPAC name of 3,3-difluoro-4-[(2-fluorophenyl)methyl]pyrrolidine (CID 84680894) is 3,3-difluoro-4-[(2-fluorophenyl)methyl]pyrrolidine.
What is the SMILES notation for 3,3-difluoro-4-[(2-fluorophenyl)methyl]pyrrolidine?
The canonical SMILES for 3,3-difluoro-4-[(2-fluorophenyl)methyl]pyrrolidine is Fc1ccccc1CC1CNCC1(F)F.
What is the InChIKey of 3,3-difluoro-4-[(2-fluorophenyl)methyl]pyrrolidine?
The InChIKey is NKEAJMWFKDRZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N/c12-10-4-2-1-3-8(10)5-9-6-15-7-11(9,13)14/h1-4,9,15H,5-7H2.
What are the key properties of 3,3-difluoro-4-[(2-fluorophenyl)methyl]pyrrolidine?
3,3-difluoro-4-[(2-fluorophenyl)methyl]pyrrolidine has a molecular weight of 215.22 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-4-[(2-fluorophenyl)methyl]pyrrolidine is sourced from PubChem (CID 84680894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).