3,3-difluoro-2-(2-methylphenyl)pyrrolidine;hydrochloride

C11H14ClF2N — CID 115039884

IUPAC3,3-difluoro-2-(2-methylphenyl)pyrrolidine;hydrochloride
SMILESCc1ccccc1C1NCCC1(F)F.Cl
InChIInChI=1S/C11H13F2N.ClH/c1-8-4-2-3-5-9(8)10-11(12,13)6-7-14-10;/h2-5,10,14H,6-7H2,1H3;1H
InChIKeyUBYOBJBDMFRYKL-UHFFFAOYSA-N
MW233.69 g/mol
LogP3.09
Rot. Bonds1

About 3,3-difluoro-2-(2-methylphenyl)pyrrolidine;hydrochloride

3,3-difluoro-2-(2-methylphenyl)pyrrolidine;hydrochloride (PubChem CID 115039884) has the molecular formula C11H14ClF2N and a molecular weight of 233.69 g/mol. Its IUPAC name is 3,3-difluoro-2-(2-methylphenyl)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name3,3-difluoro-2-(2-methylphenyl)pyrrolidine;hydrochloride
PubChem CID115039884
Molecular FormulaC11H14ClF2N
Molecular Weight233.69 g/mol
Exact Mass233.08
IUPAC Name3,3-difluoro-2-(2-methylphenyl)pyrrolidine;hydrochloride
SMILESCc1ccccc1C1NCCC1(F)F.Cl
InChIInChI=1S/C11H13F2N.ClH/c1-8-4-2-3-5-9(8)10-11(12,13)6-7-14-10;/h2-5,10,14H,6-7H2,1H3;1H
InChIKeyUBYOBJBDMFRYKL-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-2-(2-methylphenyl)pyrrolidine;hydrochloride?
The IUPAC name of 3,3-difluoro-2-(2-methylphenyl)pyrrolidine;hydrochloride (CID 115039884) is 3,3-difluoro-2-(2-methylphenyl)pyrrolidine;hydrochloride.
What is the SMILES notation for 3,3-difluoro-2-(2-methylphenyl)pyrrolidine;hydrochloride?
The canonical SMILES for 3,3-difluoro-2-(2-methylphenyl)pyrrolidine;hydrochloride is Cc1ccccc1C1NCCC1(F)F.Cl.
What is the InChIKey of 3,3-difluoro-2-(2-methylphenyl)pyrrolidine;hydrochloride?
The InChIKey is UBYOBJBDMFRYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N.ClH/c1-8-4-2-3-5-9(8)10-11(12,13)6-7-14-10;/h2-5,10,14H,6-7H2,1H3;1H.
What are the key properties of 3,3-difluoro-2-(2-methylphenyl)pyrrolidine;hydrochloride?
3,3-difluoro-2-(2-methylphenyl)pyrrolidine;hydrochloride has a molecular weight of 233.69 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-2-(2-methylphenyl)pyrrolidine;hydrochloride is sourced from PubChem (CID 115039884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).