2-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine

C13H16F3NO — CID 104703817

IUPAC2-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine
SMILESFC(F)(F)Oc1ccc(CCC2CCCN2)cc1
InChIInChI=1S/C13H16F3NO/c14-13(15,16)18-12-7-4-10(5-8-12)3-6-11-2-1-9-17-11/h4-5,7-8,11,17H,1-3,6,9H2
InChIKeyPZPGAIOAXTVGBJ-UHFFFAOYSA-N
MW259.27 g/mol
LogP3.27
Rot. Bonds4

About 2-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine

2-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine (PubChem CID 104703817) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is 2-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine.

Molecular Properties

Compound Name2-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine
PubChem CID104703817
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name2-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine
SMILESFC(F)(F)Oc1ccc(CCC2CCCN2)cc1
InChIInChI=1S/C13H16F3NO/c14-13(15,16)18-12-7-4-10(5-8-12)3-6-11-2-1-9-17-11/h4-5,7-8,11,17H,1-3,6,9H2
InChIKeyPZPGAIOAXTVGBJ-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperidine
CID 43329124
2-[6-[4-(trifluoromethoxy)phenoxy]hexyl]pyrrolidine
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CID 104704065
N-(pyrrolidin-2-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]propanamide
CID 119513413
(2S)-2-[2-[4-(trifluoromethoxy)phenoxy]ethyl]piperidine
CID 69002528
2-[3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propyl]pyrrolidine
CID 112519355
2-[2-(4-bromophenyl)ethyl]pyrrolidine
CID 82088395
acetic acid;2-[[4-(trifluoromethoxy)phenyl]methyl]piperidine
CID 174644977
2-[2-[4-[2-(trifluoromethyl)phenoxy]phenyl]ethyl]piperidine
CID 23339104
2-[2-(4-propan-2-yloxyphenyl)ethyl]piperidine
CID 54932964
[4-(2-piperidin-2-ylethyl)phenyl]methanol
CID 174898982
N-[2-[4-(trifluoromethoxy)phenyl]ethyl]cyclohexanamine
CID 126728159

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine?
The IUPAC name of 2-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine (CID 104703817) is 2-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine.
What is the SMILES notation for 2-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine?
The canonical SMILES for 2-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine is FC(F)(F)Oc1ccc(CCC2CCCN2)cc1.
What is the InChIKey of 2-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine?
The InChIKey is PZPGAIOAXTVGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c14-13(15,16)18-12-7-4-10(5-8-12)3-6-11-2-1-9-17-11/h4-5,7-8,11,17H,1-3,6,9H2.
What are the key properties of 2-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine?
2-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine has a molecular weight of 259.27 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine is sourced from PubChem (CID 104703817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).