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

C14H19F2N — CID 117351207

IUPAC2-[[3-(2,2-difluoropropyl)phenyl]methyl]pyrrolidine
SMILESCC(F)(F)Cc1cccc(CC2CCCN2)c1
InChIInChI=1S/C14H19F2N/c1-14(15,16)10-12-5-2-4-11(8-12)9-13-6-3-7-17-13/h2,4-5,8,13,17H,3,6-7,9-10H2,1H3
InChIKeyJQNUKSYNIJBDMD-UHFFFAOYSA-N
MW239.31 g/mol
LogP3.18
Rot. Bonds4

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

2-[[3-(2,2-difluoropropyl)phenyl]methyl]pyrrolidine (PubChem CID 117351207) has the molecular formula C14H19F2N and a molecular weight of 239.31 g/mol. Its IUPAC name is 2-[[3-(2,2-difluoropropyl)phenyl]methyl]pyrrolidine.

Molecular Properties

Compound Name2-[[3-(2,2-difluoropropyl)phenyl]methyl]pyrrolidine
PubChem CID117351207
Molecular FormulaC14H19F2N
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name2-[[3-(2,2-difluoropropyl)phenyl]methyl]pyrrolidine
SMILESCC(F)(F)Cc1cccc(CC2CCCN2)c1
InChIInChI=1S/C14H19F2N/c1-14(15,16)10-12-5-2-4-11(8-12)9-13-6-3-7-17-13/h2,4-5,8,13,17H,3,6-7,9-10H2,1H3
InChIKeyJQNUKSYNIJBDMD-UHFFFAOYSA-N
XLogP3.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[[3-(2,2,2-trifluoroethyl)phenyl]methyl]pyrrolidine
CID 117359786
2-[3-(2,2-difluoropropyl)phenyl]pyrrolidine
CID 84689852
(2S)-2-[(3-chlorophenyl)methyl]pyrrolidine
CID 7022802
2-[(3-fluorophenyl)methyl]azepane
CID 62544707
2-[(3-methylsulfanylphenyl)methyl]piperidine
CID 117317206
2-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 62115930
2-[(3-chlorophenyl)methyl]azepane
CID 5094056
(2S)-2-[(3-fluoro-4-methylphenyl)methyl]pyrrolidine
CID 58580794
1-[3-(pyrrolidin-2-ylmethyl)phenyl]cyclopropan-1-ol
CID 117118207
2-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 117401448
2-[[3-methoxy-4-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 84806173
2-[[3-(1,1-difluoroethyl)-2-methoxyphenyl]methyl]pyrrolidine
CID 117391311

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2,2-difluoropropyl)phenyl]methyl]pyrrolidine?
The IUPAC name of 2-[[3-(2,2-difluoropropyl)phenyl]methyl]pyrrolidine (CID 117351207) is 2-[[3-(2,2-difluoropropyl)phenyl]methyl]pyrrolidine.
What is the SMILES notation for 2-[[3-(2,2-difluoropropyl)phenyl]methyl]pyrrolidine?
The canonical SMILES for 2-[[3-(2,2-difluoropropyl)phenyl]methyl]pyrrolidine is CC(F)(F)Cc1cccc(CC2CCCN2)c1.
What is the InChIKey of 2-[[3-(2,2-difluoropropyl)phenyl]methyl]pyrrolidine?
The InChIKey is JQNUKSYNIJBDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N/c1-14(15,16)10-12-5-2-4-11(8-12)9-13-6-3-7-17-13/h2,4-5,8,13,17H,3,6-7,9-10H2,1H3.
What are the key properties of 2-[[3-(2,2-difluoropropyl)phenyl]methyl]pyrrolidine?
2-[[3-(2,2-difluoropropyl)phenyl]methyl]pyrrolidine has a molecular weight of 239.31 g/mol, XLogP of 3.18, 4 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]methyl]pyrrolidine is sourced from PubChem (CID 117351207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).