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

C13H16F3N — CID 117359786

IUPAC2-[[3-(2,2,2-trifluoroethyl)phenyl]methyl]pyrrolidine
SMILESFC(F)(F)Cc1cccc(CC2CCCN2)c1
InChIInChI=1S/C13H16F3N/c14-13(15,16)9-11-4-1-3-10(7-11)8-12-5-2-6-17-12/h1,3-4,7,12,17H,2,5-6,8-9H2
InChIKeyGJONIQHMLDQBEM-UHFFFAOYSA-N
MW243.27 g/mol
LogP3.09
Rot. Bonds3

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

2-[[3-(2,2,2-trifluoroethyl)phenyl]methyl]pyrrolidine (PubChem CID 117359786) has the molecular formula C13H16F3N and a molecular weight of 243.27 g/mol. Its IUPAC name is 2-[[3-(2,2,2-trifluoroethyl)phenyl]methyl]pyrrolidine.

Molecular Properties

Compound Name2-[[3-(2,2,2-trifluoroethyl)phenyl]methyl]pyrrolidine
PubChem CID117359786
Molecular FormulaC13H16F3N
Molecular Weight243.27 g/mol
Exact Mass243.12
IUPAC Name2-[[3-(2,2,2-trifluoroethyl)phenyl]methyl]pyrrolidine
SMILESFC(F)(F)Cc1cccc(CC2CCCN2)c1
InChIInChI=1S/C13H16F3N/c14-13(15,16)9-11-4-1-3-10(7-11)8-12-5-2-6-17-12/h1,3-4,7,12,17H,2,5-6,8-9H2
InChIKeyGJONIQHMLDQBEM-UHFFFAOYSA-N
XLogP3.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 117351207
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2-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine
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2-[(3-chlorophenyl)methyl]azepane
CID 5094056
1-[3-(pyrrolidin-2-ylmethyl)phenyl]cyclopropan-1-ol
CID 117118207
2-[(3-methylsulfanylphenyl)methyl]piperidine
CID 117317206
2-fluoro-4-(pyrrolidin-2-ylmethyl)phenol
CID 82606233
2-fluoro-4-(pyrrolidin-2-ylmethyl)aniline
CID 84665550
(2S)-2-[(3-fluoro-4-methylphenyl)methyl]pyrrolidine
CID 58580794
2-[[3-(thian-4-yloxy)phenyl]methyl]pyrrolidine
CID 117444975
2-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 117401448

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2,2,2-trifluoroethyl)phenyl]methyl]pyrrolidine?
The IUPAC name of 2-[[3-(2,2,2-trifluoroethyl)phenyl]methyl]pyrrolidine (CID 117359786) is 2-[[3-(2,2,2-trifluoroethyl)phenyl]methyl]pyrrolidine.
What is the SMILES notation for 2-[[3-(2,2,2-trifluoroethyl)phenyl]methyl]pyrrolidine?
The canonical SMILES for 2-[[3-(2,2,2-trifluoroethyl)phenyl]methyl]pyrrolidine is FC(F)(F)Cc1cccc(CC2CCCN2)c1.
What is the InChIKey of 2-[[3-(2,2,2-trifluoroethyl)phenyl]methyl]pyrrolidine?
The InChIKey is GJONIQHMLDQBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N/c14-13(15,16)9-11-4-1-3-10(7-11)8-12-5-2-6-17-12/h1,3-4,7,12,17H,2,5-6,8-9H2.
What are the key properties of 2-[[3-(2,2,2-trifluoroethyl)phenyl]methyl]pyrrolidine?
2-[[3-(2,2,2-trifluoroethyl)phenyl]methyl]pyrrolidine has a molecular weight of 243.27 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2,2,2-trifluoroethyl)phenyl]methyl]pyrrolidine is sourced from PubChem (CID 117359786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).