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

C13H17F2N — CID 84689852

IUPAC2-[3-(2,2-difluoropropyl)phenyl]pyrrolidine
SMILESCC(F)(F)Cc1cccc(C2CCCN2)c1
InChIInChI=1S/C13H17F2N/c1-13(14,15)9-10-4-2-5-11(8-10)12-6-3-7-16-12/h2,4-5,8,12,16H,3,6-7,9H2,1H3
InChIKeyGGYXFTZUJXJJNZ-UHFFFAOYSA-N
MW225.28 g/mol
LogP3.31
Rot. Bonds3

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

2-[3-(2,2-difluoropropyl)phenyl]pyrrolidine (PubChem CID 84689852) has the molecular formula C13H17F2N and a molecular weight of 225.28 g/mol. Its IUPAC name is 2-[3-(2,2-difluoropropyl)phenyl]pyrrolidine.

Molecular Properties

Compound Name2-[3-(2,2-difluoropropyl)phenyl]pyrrolidine
PubChem CID84689852
Molecular FormulaC13H17F2N
Molecular Weight225.28 g/mol
Exact Mass225.13
IUPAC Name2-[3-(2,2-difluoropropyl)phenyl]pyrrolidine
SMILESCC(F)(F)Cc1cccc(C2CCCN2)c1
InChIInChI=1S/C13H17F2N/c1-13(14,15)9-10-4-2-5-11(8-10)12-6-3-7-16-12/h2,4-5,8,12,16H,3,6-7,9H2,1H3
InChIKeyGGYXFTZUJXJJNZ-UHFFFAOYSA-N
XLogP3.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[[3-(2,2-difluoropropyl)phenyl]methyl]pyrrolidine
CID 117351207
2-[3-(2-fluoropropan-2-yl)phenyl]piperidine
CID 84687033
2-[3-(2-methylpropyl)phenyl]azepane
CID 116545597
2-(3-methylphenyl)pyrrolidine;hydrochloride
CID 45156256
N,N-dimethyl-3-pyrrolidin-2-ylaniline
CID 3982054
2-(3-pentan-3-ylphenyl)pyrrolidine
CID 83836317
2-(3-iodophenyl)pyrrolidine;hydrochloride
CID 154803675
(2S)-2-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidine
CID 66519102
2-[3-[cyclopropyl(difluoro)methyl]phenyl]piperidine
CID 116992771
(2R)-2-(3-methylphenyl)azepane
CID 7048257
(2S)-2-(3-ethenylphenyl)pyrrolidine
CID 55252972
2-[3-(thian-4-yl)phenyl]pyrrolidine
CID 117372154

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,2-difluoropropyl)phenyl]pyrrolidine?
The IUPAC name of 2-[3-(2,2-difluoropropyl)phenyl]pyrrolidine (CID 84689852) is 2-[3-(2,2-difluoropropyl)phenyl]pyrrolidine.
What is the SMILES notation for 2-[3-(2,2-difluoropropyl)phenyl]pyrrolidine?
The canonical SMILES for 2-[3-(2,2-difluoropropyl)phenyl]pyrrolidine is CC(F)(F)Cc1cccc(C2CCCN2)c1.
What is the InChIKey of 2-[3-(2,2-difluoropropyl)phenyl]pyrrolidine?
The InChIKey is GGYXFTZUJXJJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N/c1-13(14,15)9-10-4-2-5-11(8-10)12-6-3-7-16-12/h2,4-5,8,12,16H,3,6-7,9H2,1H3.
What are the key properties of 2-[3-(2,2-difluoropropyl)phenyl]pyrrolidine?
2-[3-(2,2-difluoropropyl)phenyl]pyrrolidine has a molecular weight of 225.28 g/mol, XLogP of 3.31, 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]pyrrolidine is sourced from PubChem (CID 84689852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).