2-benzyl-4,4-difluoropyrrolidine;hydrochloride

C11H14ClF2N — CID 115039893

IUPAC2-benzyl-4,4-difluoropyrrolidine;hydrochloride
SMILESCl.FC1(F)CNC(Cc2ccccc2)C1
InChIInChI=1S/C11H13F2N.ClH/c12-11(13)7-10(14-8-11)6-9-4-2-1-3-5-9;/h1-5,10,14H,6-8H2;1H
InChIKeyIXAKTKLRHMSEDL-UHFFFAOYSA-N
MW233.69 g/mol
LogP2.65
Rot. Bonds2

About 2-benzyl-4,4-difluoropyrrolidine;hydrochloride

2-benzyl-4,4-difluoropyrrolidine;hydrochloride (PubChem CID 115039893) has the molecular formula C11H14ClF2N and a molecular weight of 233.69 g/mol. Its IUPAC name is 2-benzyl-4,4-difluoropyrrolidine;hydrochloride.

Molecular Properties

Compound Name2-benzyl-4,4-difluoropyrrolidine;hydrochloride
PubChem CID115039893
Molecular FormulaC11H14ClF2N
Molecular Weight233.69 g/mol
Exact Mass233.08
IUPAC Name2-benzyl-4,4-difluoropyrrolidine;hydrochloride
SMILESCl.FC1(F)CNC(Cc2ccccc2)C1
InChIInChI=1S/C11H13F2N.ClH/c12-11(13)7-10(14-8-11)6-9-4-2-1-3-5-9;/h1-5,10,14H,6-8H2;1H
InChIKeyIXAKTKLRHMSEDL-UHFFFAOYSA-N
XLogP2.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.69
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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5-benzyl-2,2-dimethyl-1-(3,3,3-trifluoropropyl)piperazine
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4-benzyl-1,3-oxazolidine
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3-benzyl-1-methyl-1,4-diazaspiro[5.5]undecane
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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4,4-difluoropyrrolidine;hydrochloride?
The IUPAC name of 2-benzyl-4,4-difluoropyrrolidine;hydrochloride (CID 115039893) is 2-benzyl-4,4-difluoropyrrolidine;hydrochloride.
What is the SMILES notation for 2-benzyl-4,4-difluoropyrrolidine;hydrochloride?
The canonical SMILES for 2-benzyl-4,4-difluoropyrrolidine;hydrochloride is Cl.FC1(F)CNC(Cc2ccccc2)C1.
What is the InChIKey of 2-benzyl-4,4-difluoropyrrolidine;hydrochloride?
The InChIKey is IXAKTKLRHMSEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N.ClH/c12-11(13)7-10(14-8-11)6-9-4-2-1-3-5-9;/h1-5,10,14H,6-8H2;1H.
What are the key properties of 2-benzyl-4,4-difluoropyrrolidine;hydrochloride?
2-benzyl-4,4-difluoropyrrolidine;hydrochloride has a molecular weight of 233.69 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4,4-difluoropyrrolidine;hydrochloride is sourced from PubChem (CID 115039893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).