4,4-difluoro-2-methyl-2-phenylpyrrolidine;hydrochloride

C11H14ClF2N — CID 115039892

IUPAC4,4-difluoro-2-methyl-2-phenylpyrrolidine;hydrochloride
SMILESCC1(c2ccccc2)CC(F)(F)CN1.Cl
InChIInChI=1S/C11H13F2N.ClH/c1-10(7-11(12,13)8-14-10)9-5-3-2-4-6-9;/h2-6,14H,7-8H2,1H3;1H
InChIKeyAQLIONDRNWCSFJ-UHFFFAOYSA-N
MW233.69 g/mol
LogP2.95
Rot. Bonds1

About 4,4-difluoro-2-methyl-2-phenylpyrrolidine;hydrochloride

4,4-difluoro-2-methyl-2-phenylpyrrolidine;hydrochloride (PubChem CID 115039892) has the molecular formula C11H14ClF2N and a molecular weight of 233.69 g/mol. Its IUPAC name is 4,4-difluoro-2-methyl-2-phenylpyrrolidine;hydrochloride.

Molecular Properties

Compound Name4,4-difluoro-2-methyl-2-phenylpyrrolidine;hydrochloride
PubChem CID115039892
Molecular FormulaC11H14ClF2N
Molecular Weight233.69 g/mol
Exact Mass233.08
IUPAC Name4,4-difluoro-2-methyl-2-phenylpyrrolidine;hydrochloride
SMILESCC1(c2ccccc2)CC(F)(F)CN1.Cl
InChIInChI=1S/C11H13F2N.ClH/c1-10(7-11(12,13)8-14-10)9-5-3-2-4-6-9;/h2-6,14H,7-8H2,1H3;1H
InChIKeyAQLIONDRNWCSFJ-UHFFFAOYSA-N
XLogP2.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.69
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-2-methyl-2-phenylpyrrolidine;hydrochloride?
The IUPAC name of 4,4-difluoro-2-methyl-2-phenylpyrrolidine;hydrochloride (CID 115039892) is 4,4-difluoro-2-methyl-2-phenylpyrrolidine;hydrochloride.
What is the SMILES notation for 4,4-difluoro-2-methyl-2-phenylpyrrolidine;hydrochloride?
The canonical SMILES for 4,4-difluoro-2-methyl-2-phenylpyrrolidine;hydrochloride is CC1(c2ccccc2)CC(F)(F)CN1.Cl.
What is the InChIKey of 4,4-difluoro-2-methyl-2-phenylpyrrolidine;hydrochloride?
The InChIKey is AQLIONDRNWCSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N.ClH/c1-10(7-11(12,13)8-14-10)9-5-3-2-4-6-9;/h2-6,14H,7-8H2,1H3;1H.
What are the key properties of 4,4-difluoro-2-methyl-2-phenylpyrrolidine;hydrochloride?
4,4-difluoro-2-methyl-2-phenylpyrrolidine;hydrochloride has a molecular weight of 233.69 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-2-methyl-2-phenylpyrrolidine;hydrochloride is sourced from PubChem (CID 115039892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).