4-(2-pyrrolidin-3-ylethoxy)-2-(trifluoromethyl)pyridine

C12H15F3N2O — CID 114270201

IUPAC4-(2-pyrrolidin-3-ylethoxy)-2-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cc(OCCC2CCNC2)ccn1
InChIInChI=1S/C12H15F3N2O/c13-12(14,15)11-7-10(2-5-17-11)18-6-3-9-1-4-16-8-9/h2,5,7,9,16H,1,3-4,6,8H2
InChIKeyHSRSGPGJKPTNLA-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.48
Rot. Bonds4

About 4-(2-pyrrolidin-3-ylethoxy)-2-(trifluoromethyl)pyridine

4-(2-pyrrolidin-3-ylethoxy)-2-(trifluoromethyl)pyridine (PubChem CID 114270201) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is 4-(2-pyrrolidin-3-ylethoxy)-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name4-(2-pyrrolidin-3-ylethoxy)-2-(trifluoromethyl)pyridine
PubChem CID114270201
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name4-(2-pyrrolidin-3-ylethoxy)-2-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cc(OCCC2CCNC2)ccn1
InChIInChI=1S/C12H15F3N2O/c13-12(14,15)11-7-10(2-5-17-11)18-6-3-9-1-4-16-8-9/h2,5,7,9,16H,1,3-4,6,8H2
InChIKeyHSRSGPGJKPTNLA-UHFFFAOYSA-N
XLogP2.48
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-nitro-4-(2-pyrrolidin-3-ylethoxy)-2-(trifluoromethyl)pyridine
CID 106750147
(3S)-3-[2-(3-methoxyphenoxy)ethyl]pyrrolidine
CID 93080822
(1S,5R)-6-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]-3-azabicyclo[3.1.0]hexane;hydrochloride
CID 174213953
3-chloro-2-(2-pyrrolidin-3-ylethoxy)-5-(trifluoromethyl)pyridine
CID 114796299
3-[2-(4-methylsulfonylphenoxy)ethyl]pyrrolidine
CID 114796528
2-fluoro-4-(2-pyrrolidin-3-ylethoxy)benzonitrile;2,2,2-trifluoroacetic acid
CID 167896040
N-methyl-4-(2-piperidin-3-ylethoxy)pyridine-2-carboxamide
CID 62358035
2-(2-pyrrolidin-3-ylethoxy)-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 114796320
3-[2-[3-bromo-4-(trifluoromethoxy)phenoxy]ethyl]piperidine
CID 102714818
6-methoxy-1-(2-pyrrolidin-3-ylethoxy)isoquinoline
CID 106542215
4-[2-(3-iodophenoxy)ethyl]piperidine
CID 105061225
4-[2-(3-methoxyphenoxy)ethyl]piperidine
CID 26192450

Frequently Asked Questions

What is the IUPAC name of 4-(2-pyrrolidin-3-ylethoxy)-2-(trifluoromethyl)pyridine?
The IUPAC name of 4-(2-pyrrolidin-3-ylethoxy)-2-(trifluoromethyl)pyridine (CID 114270201) is 4-(2-pyrrolidin-3-ylethoxy)-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 4-(2-pyrrolidin-3-ylethoxy)-2-(trifluoromethyl)pyridine?
The canonical SMILES for 4-(2-pyrrolidin-3-ylethoxy)-2-(trifluoromethyl)pyridine is FC(F)(F)c1cc(OCCC2CCNC2)ccn1.
What is the InChIKey of 4-(2-pyrrolidin-3-ylethoxy)-2-(trifluoromethyl)pyridine?
The InChIKey is HSRSGPGJKPTNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c13-12(14,15)11-7-10(2-5-17-11)18-6-3-9-1-4-16-8-9/h2,5,7,9,16H,1,3-4,6,8H2.
What are the key properties of 4-(2-pyrrolidin-3-ylethoxy)-2-(trifluoromethyl)pyridine?
4-(2-pyrrolidin-3-ylethoxy)-2-(trifluoromethyl)pyridine has a molecular weight of 260.26 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyrrolidin-3-ylethoxy)-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 114270201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).