3-[[2-(trifluoromethyl)phenyl]methoxymethyl]pyrrolidine

C13H16F3NO — CID 115070735

IUPAC3-[[2-(trifluoromethyl)phenyl]methoxymethyl]pyrrolidine
SMILESFC(F)(F)c1ccccc1COCC1CCNC1
InChIInChI=1S/C13H16F3NO/c14-13(15,16)12-4-2-1-3-11(12)9-18-8-10-5-6-17-7-10/h1-4,10,17H,5-9H2
InChIKeyGGMBTAYTTWOYIQ-UHFFFAOYSA-N
MW259.27 g/mol
LogP2.83
Rot. Bonds4

About 3-[[2-(trifluoromethyl)phenyl]methoxymethyl]pyrrolidine

3-[[2-(trifluoromethyl)phenyl]methoxymethyl]pyrrolidine (PubChem CID 115070735) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is 3-[[2-(trifluoromethyl)phenyl]methoxymethyl]pyrrolidine.

Molecular Properties

Compound Name3-[[2-(trifluoromethyl)phenyl]methoxymethyl]pyrrolidine
PubChem CID115070735
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name3-[[2-(trifluoromethyl)phenyl]methoxymethyl]pyrrolidine
SMILESFC(F)(F)c1ccccc1COCC1CCNC1
InChIInChI=1S/C13H16F3NO/c14-13(15,16)12-4-2-1-3-11(12)9-18-8-10-5-6-17-7-10/h1-4,10,17H,5-9H2
InChIKeyGGMBTAYTTWOYIQ-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidine
CID 86321036
3-[(2-chlorophenyl)methoxymethyl]pyrrolidine
CID 56829907
(3R)-3-[(2-chlorophenyl)methoxymethyl]pyrrolidine
CID 86320752
3-[(2-methylphenyl)methoxymethyl]pyrrolidine
CID 56829929
3-[(2-methoxyphenyl)methoxymethyl]pyrrolidine
CID 53414657
4-[[4-phenyl-2-(trifluoromethyl)phenyl]methoxymethyl]piperidine
CID 54001513
3-[[2-(trifluoromethyl)phenyl]methylsulfanylmethyl]pyrrolidine
CID 115070736
(3R)-3-(phenylmethoxymethyl)pyrrolidine
CID 26192483
3-[(2-fluorophenyl)methoxymethyl]piperidine
CID 56831009
3-[(2-fluorophenyl)methoxymethyl]piperidine;hydrochloride
CID 56831008
(3S)-3-[(2,6-difluorophenyl)methoxymethyl]pyrrolidine
CID 86321771
3-[[2-(2-fluoropropan-2-yl)phenoxy]methyl]pyrrolidine
CID 115042137

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(trifluoromethyl)phenyl]methoxymethyl]pyrrolidine?
The IUPAC name of 3-[[2-(trifluoromethyl)phenyl]methoxymethyl]pyrrolidine (CID 115070735) is 3-[[2-(trifluoromethyl)phenyl]methoxymethyl]pyrrolidine.
What is the SMILES notation for 3-[[2-(trifluoromethyl)phenyl]methoxymethyl]pyrrolidine?
The canonical SMILES for 3-[[2-(trifluoromethyl)phenyl]methoxymethyl]pyrrolidine is FC(F)(F)c1ccccc1COCC1CCNC1.
What is the InChIKey of 3-[[2-(trifluoromethyl)phenyl]methoxymethyl]pyrrolidine?
The InChIKey is GGMBTAYTTWOYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c14-13(15,16)12-4-2-1-3-11(12)9-18-8-10-5-6-17-7-10/h1-4,10,17H,5-9H2.
What are the key properties of 3-[[2-(trifluoromethyl)phenyl]methoxymethyl]pyrrolidine?
3-[[2-(trifluoromethyl)phenyl]methoxymethyl]pyrrolidine has a molecular weight of 259.27 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(trifluoromethyl)phenyl]methoxymethyl]pyrrolidine is sourced from PubChem (CID 115070735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).