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

C11H12F3N — CID 84680895

IUPAC3,3-difluoro-4-[(3-fluorophenyl)methyl]pyrrolidine
SMILESFc1cccc(CC2CNCC2(F)F)c1
InChIInChI=1S/C11H12F3N/c12-10-3-1-2-8(5-10)4-9-6-15-7-11(9,13)14/h1-3,5,9,15H,4,6-7H2
InChIKeyJQLHVQWTPGXTBW-UHFFFAOYSA-N
MW215.22 g/mol
LogP2.22
Rot. Bonds2

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

3,3-difluoro-4-[(3-fluorophenyl)methyl]pyrrolidine (PubChem CID 84680895) has the molecular formula C11H12F3N and a molecular weight of 215.22 g/mol. Its IUPAC name is 3,3-difluoro-4-[(3-fluorophenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name3,3-difluoro-4-[(3-fluorophenyl)methyl]pyrrolidine
PubChem CID84680895
Molecular FormulaC11H12F3N
Molecular Weight215.22 g/mol
Exact Mass215.09
IUPAC Name3,3-difluoro-4-[(3-fluorophenyl)methyl]pyrrolidine
SMILESFc1cccc(CC2CNCC2(F)F)c1
InChIInChI=1S/C11H12F3N/c12-10-3-1-2-8(5-10)4-9-6-15-7-11(9,13)14/h1-3,5,9,15H,4,6-7H2
InChIKeyJQLHVQWTPGXTBW-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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Related Compounds

3,3-difluoro-4-[(4-fluorophenyl)methyl]pyrrolidine
CID 84680896
3,3-difluoro-4-[(2-fluorophenyl)methyl]pyrrolidine
CID 84680894
4-[(3-chlorophenyl)methyl]-3,3-difluoropiperidine
CID 84705382
4-[(3-fluorophenyl)methyl]-2,2-dimethylpyrrolidine
CID 117269758
3-benzyl-4,4-difluoropiperidine
CID 84678460
4-[(3-fluorophenyl)methyl]-4-methylpyrrolidine-3-carboxylic acid
CID 114834622
2-[(3-fluorophenyl)methyl]thiomorpholine
CID 82284188
1-fluoro-3-[(1-fluorocyclopropyl)methyl]benzene
CID 84717270
ethyl 4-[(3-fluorophenyl)methyl]-4-methylpyrrolidine-3-carboxylate
CID 114834625
(3R)-3-[(3-fluorophenyl)methyl]piperidin-2-one
CID 124592992
ethane;4-[(3-fluorophenyl)methyl]-1-methylpiperidine
CID 163281895
2-[(3-fluorophenyl)methyl]-1,3-dithiane
CID 19793236

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-4-[(3-fluorophenyl)methyl]pyrrolidine?
The IUPAC name of 3,3-difluoro-4-[(3-fluorophenyl)methyl]pyrrolidine (CID 84680895) is 3,3-difluoro-4-[(3-fluorophenyl)methyl]pyrrolidine.
What is the SMILES notation for 3,3-difluoro-4-[(3-fluorophenyl)methyl]pyrrolidine?
The canonical SMILES for 3,3-difluoro-4-[(3-fluorophenyl)methyl]pyrrolidine is Fc1cccc(CC2CNCC2(F)F)c1.
What is the InChIKey of 3,3-difluoro-4-[(3-fluorophenyl)methyl]pyrrolidine?
The InChIKey is JQLHVQWTPGXTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N/c12-10-3-1-2-8(5-10)4-9-6-15-7-11(9,13)14/h1-3,5,9,15H,4,6-7H2.
What are the key properties of 3,3-difluoro-4-[(3-fluorophenyl)methyl]pyrrolidine?
3,3-difluoro-4-[(3-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-[(3-fluorophenyl)methyl]pyrrolidine is sourced from PubChem (CID 84680895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).