2-[2-[2-(trifluoromethyl)phenoxy]ethyl]pyrrolidine

C13H16F3NO — CID 23339323

IUPAC2-[2-[2-(trifluoromethyl)phenoxy]ethyl]pyrrolidine
SMILESFC(F)(F)c1ccccc1OCCC1CCCN1
InChIInChI=1S/C13H16F3NO/c14-13(15,16)11-5-1-2-6-12(11)18-9-7-10-4-3-8-17-10/h1-2,5-6,10,17H,3-4,7-9H2
InChIKeyQKEGIRKDMKQAIT-UHFFFAOYSA-N
MW259.27 g/mol
LogP3.23
Rot. Bonds4

About 2-[2-[2-(trifluoromethyl)phenoxy]ethyl]pyrrolidine

2-[2-[2-(trifluoromethyl)phenoxy]ethyl]pyrrolidine (PubChem CID 23339323) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is 2-[2-[2-(trifluoromethyl)phenoxy]ethyl]pyrrolidine.

Molecular Properties

Compound Name2-[2-[2-(trifluoromethyl)phenoxy]ethyl]pyrrolidine
PubChem CID23339323
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name2-[2-[2-(trifluoromethyl)phenoxy]ethyl]pyrrolidine
SMILESFC(F)(F)c1ccccc1OCCC1CCCN1
InChIInChI=1S/C13H16F3NO/c14-13(15,16)11-5-1-2-6-12(11)18-9-7-10-4-3-8-17-10/h1-2,5-6,10,17H,3-4,7-9H2
InChIKeyQKEGIRKDMKQAIT-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[4-[2-(trifluoromethyl)phenoxy]phenyl]ethyl]piperidine
CID 23339104
2-[2-(2-phenylphenoxy)ethyl]piperidine
CID 43149968
3-[2-[2-(trifluoromethyl)phenoxy]ethyl]azetidine
CID 107391519
2-[3-(2-chlorophenoxy)propyl]pyrrolidine
CID 62478542
2-[2-(2-propan-2-ylphenoxy)ethyl]piperidine
CID 43149996
2-[2-[4-(trifluoromethyl)phenoxy]ethyl]piperidine
CID 43150630
2-[2-[2-(5-phenylpentyl)phenoxy]ethyl]pyrrolidine
CID 142647232
1-(pyrrolidin-2-ylmethyl)-4-[2-(trifluoromethyl)phenoxy]pyrazole
CID 117125009
(2R)-2-[[2-(trifluoromethoxy)phenoxy]methyl]pyrrolidine
CID 102820256
2-[2-(2,3-dimethoxyphenoxy)ethyl]piperidine
CID 112500840
4-(2-piperidin-2-ylethoxy)-2-(trifluoromethyl)benzonitrile
CID 62348975
(2S)-2-[2-[4-(trifluoromethoxy)phenoxy]ethyl]piperidine
CID 69002528

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(trifluoromethyl)phenoxy]ethyl]pyrrolidine?
The IUPAC name of 2-[2-[2-(trifluoromethyl)phenoxy]ethyl]pyrrolidine (CID 23339323) is 2-[2-[2-(trifluoromethyl)phenoxy]ethyl]pyrrolidine.
What is the SMILES notation for 2-[2-[2-(trifluoromethyl)phenoxy]ethyl]pyrrolidine?
The canonical SMILES for 2-[2-[2-(trifluoromethyl)phenoxy]ethyl]pyrrolidine is FC(F)(F)c1ccccc1OCCC1CCCN1.
What is the InChIKey of 2-[2-[2-(trifluoromethyl)phenoxy]ethyl]pyrrolidine?
The InChIKey is QKEGIRKDMKQAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c14-13(15,16)11-5-1-2-6-12(11)18-9-7-10-4-3-8-17-10/h1-2,5-6,10,17H,3-4,7-9H2.
What are the key properties of 2-[2-[2-(trifluoromethyl)phenoxy]ethyl]pyrrolidine?
2-[2-[2-(trifluoromethyl)phenoxy]ethyl]pyrrolidine has a molecular weight of 259.27 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(trifluoromethyl)phenoxy]ethyl]pyrrolidine is sourced from PubChem (CID 23339323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).