2-[4-(2,2-difluoropropyl)phenyl]-2-methylpyrrolidine

C14H19F2N — CID 117351181

IUPAC2-[4-(2,2-difluoropropyl)phenyl]-2-methylpyrrolidine
SMILESCC(F)(F)Cc1ccc(C2(C)CCCN2)cc1
InChIInChI=1S/C14H19F2N/c1-13(8-3-9-17-13)12-6-4-11(5-7-12)10-14(2,15)16/h4-7,17H,3,8-10H2,1-2H3
InChIKeyVWSGASCDRNNLOU-UHFFFAOYSA-N
MW239.31 g/mol
LogP3.48
Rot. Bonds3

About 2-[4-(2,2-difluoropropyl)phenyl]-2-methylpyrrolidine

2-[4-(2,2-difluoropropyl)phenyl]-2-methylpyrrolidine (PubChem CID 117351181) has the molecular formula C14H19F2N and a molecular weight of 239.31 g/mol. Its IUPAC name is 2-[4-(2,2-difluoropropyl)phenyl]-2-methylpyrrolidine.

Molecular Properties

Compound Name2-[4-(2,2-difluoropropyl)phenyl]-2-methylpyrrolidine
PubChem CID117351181
Molecular FormulaC14H19F2N
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name2-[4-(2,2-difluoropropyl)phenyl]-2-methylpyrrolidine
SMILESCC(F)(F)Cc1ccc(C2(C)CCCN2)cc1
InChIInChI=1S/C14H19F2N/c1-13(8-3-9-17-13)12-6-4-11(5-7-12)10-14(2,15)16/h4-7,17H,3,8-10H2,1-2H3
InChIKeyVWSGASCDRNNLOU-UHFFFAOYSA-N
XLogP3.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,2-difluoropropyl)phenyl]-2-methylpyrrolidine?
The IUPAC name of 2-[4-(2,2-difluoropropyl)phenyl]-2-methylpyrrolidine (CID 117351181) is 2-[4-(2,2-difluoropropyl)phenyl]-2-methylpyrrolidine.
What is the SMILES notation for 2-[4-(2,2-difluoropropyl)phenyl]-2-methylpyrrolidine?
The canonical SMILES for 2-[4-(2,2-difluoropropyl)phenyl]-2-methylpyrrolidine is CC(F)(F)Cc1ccc(C2(C)CCCN2)cc1.
What is the InChIKey of 2-[4-(2,2-difluoropropyl)phenyl]-2-methylpyrrolidine?
The InChIKey is VWSGASCDRNNLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N/c1-13(8-3-9-17-13)12-6-4-11(5-7-12)10-14(2,15)16/h4-7,17H,3,8-10H2,1-2H3.
What are the key properties of 2-[4-(2,2-difluoropropyl)phenyl]-2-methylpyrrolidine?
2-[4-(2,2-difluoropropyl)phenyl]-2-methylpyrrolidine has a molecular weight of 239.31 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,2-difluoropropyl)phenyl]-2-methylpyrrolidine is sourced from PubChem (CID 117351181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).