2-[3-(2,2-difluoropropyl)phenyl]-2-methylpyrrolidine

C14H19F2N — CID 117351180

IUPAC2-[3-(2,2-difluoropropyl)phenyl]-2-methylpyrrolidine
SMILESCC(F)(F)Cc1cccc(C2(C)CCCN2)c1
InChIInChI=1S/C14H19F2N/c1-13(7-4-8-17-13)12-6-3-5-11(9-12)10-14(2,15)16/h3,5-6,9,17H,4,7-8,10H2,1-2H3
InChIKeyXTYNDCXFFHAQMQ-UHFFFAOYSA-N
MW239.31 g/mol
LogP3.48
Rot. Bonds3

About 2-[3-(2,2-difluoropropyl)phenyl]-2-methylpyrrolidine

2-[3-(2,2-difluoropropyl)phenyl]-2-methylpyrrolidine (PubChem CID 117351180) has the molecular formula C14H19F2N and a molecular weight of 239.31 g/mol. Its IUPAC name is 2-[3-(2,2-difluoropropyl)phenyl]-2-methylpyrrolidine.

Molecular Properties

Compound Name2-[3-(2,2-difluoropropyl)phenyl]-2-methylpyrrolidine
PubChem CID117351180
Molecular FormulaC14H19F2N
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name2-[3-(2,2-difluoropropyl)phenyl]-2-methylpyrrolidine
SMILESCC(F)(F)Cc1cccc(C2(C)CCCN2)c1
InChIInChI=1S/C14H19F2N/c1-13(7-4-8-17-13)12-6-3-5-11(9-12)10-14(2,15)16/h3,5-6,9,17H,4,7-8,10H2,1-2H3
InChIKeyXTYNDCXFFHAQMQ-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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Related Compounds

2-methyl-1-[3-(2-methylpyrrolidin-2-yl)phenyl]propan-2-ol
CID 117116844
2-[4-(2,2-difluoropropyl)phenyl]-2-methylpyrrolidine
CID 117351181
2-[3-(2-fluoropropyl)phenyl]-2-methylpyrrolidine
CID 117316899
1-[[3-(2-methylpyrrolidin-2-yl)phenyl]methyl]piperidine
CID 117400052
2-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]-2-methylpyrrolidine
CID 117116875
2-methyl-2-phenylpiperidine;hydrochloride
CID 115027708
1-(2,2-difluoropropyl)-3-(1-isocyanatocyclopropyl)benzene
CID 117346277
2-methyl-2-[4-(2-methylbutan-2-yl)phenyl]pyrrolidine
CID 117335142
2-[4-(2,2-difluoroethyl)phenyl]-2-methylpyrrolidine
CID 117323688
2-(3-methoxyphenyl)-2-methylpiperidine
CID 83532633
2-[4-methoxy-3-(trifluoromethyl)phenyl]-2-methylpyrrolidine
CID 117401425
4-(2-methylpyrrolidin-2-yl)phenol
CID 82599572

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,2-difluoropropyl)phenyl]-2-methylpyrrolidine?
The IUPAC name of 2-[3-(2,2-difluoropropyl)phenyl]-2-methylpyrrolidine (CID 117351180) is 2-[3-(2,2-difluoropropyl)phenyl]-2-methylpyrrolidine.
What is the SMILES notation for 2-[3-(2,2-difluoropropyl)phenyl]-2-methylpyrrolidine?
The canonical SMILES for 2-[3-(2,2-difluoropropyl)phenyl]-2-methylpyrrolidine is CC(F)(F)Cc1cccc(C2(C)CCCN2)c1.
What is the InChIKey of 2-[3-(2,2-difluoropropyl)phenyl]-2-methylpyrrolidine?
The InChIKey is XTYNDCXFFHAQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N/c1-13(7-4-8-17-13)12-6-3-5-11(9-12)10-14(2,15)16/h3,5-6,9,17H,4,7-8,10H2,1-2H3.
What are the key properties of 2-[3-(2,2-difluoropropyl)phenyl]-2-methylpyrrolidine?
2-[3-(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-[3-(2,2-difluoropropyl)phenyl]-2-methylpyrrolidine is sourced from PubChem (CID 117351180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).