1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid

C13H14F3NO2 — CID 3958537

IUPAC1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1Cc1ccccc1C(F)(F)F
InChIInChI=1S/C13H14F3NO2/c14-13(15,16)10-5-2-1-4-9(10)8-17-7-3-6-11(17)12(18)19/h1-2,4-5,11H,3,6-8H2,(H,18,19)
InChIKeyKFBRONOUOGROHP-UHFFFAOYSA-N
MW273.25 g/mol
LogP2.75
Rot. Bonds3

About 1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid

1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid (PubChem CID 3958537) has the molecular formula C13H14F3NO2 and a molecular weight of 273.25 g/mol. Its IUPAC name is 1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid
PubChem CID3958537
Molecular FormulaC13H14F3NO2
Molecular Weight273.25 g/mol
Exact Mass273.10
IUPAC Name1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1Cc1ccccc1C(F)(F)F
InChIInChI=1S/C13H14F3NO2/c14-13(15,16)10-5-2-1-4-9(10)8-17-7-3-6-11(17)12(18)19/h1-2,4-5,11H,3,6-8H2,(H,18,19)
InChIKeyKFBRONOUOGROHP-UHFFFAOYSA-N
XLogP2.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-[(3,4-difluorophenyl)methyl]pyrrolidine-2-carboxylic acid;(2S)-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 158650976
(2S)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide
CID 95146043
1-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3581738
4-[[2-(trifluoromethyl)phenyl]methyl]thiomorpholine-3-carboxylic acid
CID 82905294
(2S)-1-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxylic acid
CID 129395291
(2S)-1-[[2-bromo-6-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 174160411
(2R)-1-[(2-bromophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 170899024
(2S)-1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 122038870
(2S)-1-[(2-nitrophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119910425
(2R)-1-[(2-nitrophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 163320874
[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanol
CID 3116751
1-(naphthalen-1-ylmethyl)piperidine-2-carboxylic acid
CID 5212584

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid (CID 3958537) is 1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1Cc1ccccc1C(F)(F)F.
What is the InChIKey of 1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid?
The InChIKey is KFBRONOUOGROHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO2/c14-13(15,16)10-5-2-1-4-9(10)8-17-7-3-6-11(17)12(18)19/h1-2,4-5,11H,3,6-8H2,(H,18,19).
What are the key properties of 1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid?
1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid has a molecular weight of 273.25 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 3958537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).