2-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine

C12H14F3N — CID 62115930

IUPAC2-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine
SMILESFC(F)(F)c1ccc(CC2CCCN2)cc1
InChIInChI=1S/C12H14F3N/c13-12(14,15)10-5-3-9(4-6-10)8-11-2-1-7-16-11/h3-6,11,16H,1-2,7-8H2
InChIKeyBIOWFWSCCJGBNG-UHFFFAOYSA-N
MW229.25 g/mol
LogP3.00
Rot. Bonds2

About 2-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine

2-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine (PubChem CID 62115930) has the molecular formula C12H14F3N and a molecular weight of 229.25 g/mol. Its IUPAC name is 2-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine.

Molecular Properties

Compound Name2-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine
PubChem CID62115930
Molecular FormulaC12H14F3N
Molecular Weight229.25 g/mol
Exact Mass229.11
IUPAC Name2-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine
SMILESFC(F)(F)c1ccc(CC2CCCN2)cc1
InChIInChI=1S/C12H14F3N/c13-12(14,15)10-5-3-9(4-6-10)8-11-2-1-7-16-11/h3-6,11,16H,1-2,7-8H2
InChIKeyBIOWFWSCCJGBNG-UHFFFAOYSA-N
XLogP3.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(trifluoromethyl)-2-[[4-(trifluoromethyl)phenyl]methyl]piperidine
CID 106778831
2-[[4-(2-fluoroethyl)phenyl]methyl]pyrrolidine
CID 117296650
2-[[4-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
CID 140514504
2-[(4-methylphenyl)methyl]pyrrolidine
CID 3510571
(2S)-2-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine
CID 102820030
2-(pyrrolidin-2-ylmethyl)-4-(trifluoromethyl)phenol
CID 117364506
2-methyl-2-[4-(piperidin-2-ylmethyl)phenyl]propan-1-ol
CID 117118109
2-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine;hydrochloride
CID 129319981
(2R)-2-[[4-[[4-(trifluoromethyl)phenyl]methoxy]phenoxy]methyl]pyrrolidine;hydrochloride
CID 68998882
2-[4-(pyrrolidin-2-ylmethyl)phenyl]ethanamine
CID 178108165
1-[4-(pyrrolidin-2-ylmethyl)phenyl]ethanol
CID 117293818
N-(2-pyrrolidin-2-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 114793758

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine?
The IUPAC name of 2-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine (CID 62115930) is 2-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine.
What is the SMILES notation for 2-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine?
The canonical SMILES for 2-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine is FC(F)(F)c1ccc(CC2CCCN2)cc1.
What is the InChIKey of 2-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine?
The InChIKey is BIOWFWSCCJGBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N/c13-12(14,15)10-5-3-9(4-6-10)8-11-2-1-7-16-11/h3-6,11,16H,1-2,7-8H2.
What are the key properties of 2-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine?
2-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine has a molecular weight of 229.25 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine is sourced from PubChem (CID 62115930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).