1-[4-(2,2,2-trifluoroethoxy)-2-pyridinyl]pyrrolidin-3-amine

C11H14F3N3O — CID 175146023

IUPAC1-[4-(2,2,2-trifluoroethoxy)-2-pyridinyl]pyrrolidin-3-amine
SMILESNC1CCN(c2cc(OCC(F)(F)F)ccn2)C1
InChIInChI=1S/C11H14F3N3O/c12-11(13,14)7-18-9-1-3-16-10(5-9)17-4-2-8(15)6-17/h1,3,5,8H,2,4,6-7,15H2
InChIKeyVYLLBVARMKPLRS-UHFFFAOYSA-N
MW261.25 g/mol
LogP1.56
Rot. Bonds3

About 1-[4-(2,2,2-trifluoroethoxy)-2-pyridinyl]pyrrolidin-3-amine

1-[4-(2,2,2-trifluoroethoxy)-2-pyridinyl]pyrrolidin-3-amine (PubChem CID 175146023) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is 1-[4-(2,2,2-trifluoroethoxy)-2-pyridinyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-[4-(2,2,2-trifluoroethoxy)-2-pyridinyl]pyrrolidin-3-amine
PubChem CID175146023
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC Name1-[4-(2,2,2-trifluoroethoxy)-2-pyridinyl]pyrrolidin-3-amine
SMILESNC1CCN(c2cc(OCC(F)(F)F)ccn2)C1
InChIInChI=1S/C11H14F3N3O/c12-11(13,14)7-18-9-1-3-16-10(5-9)17-4-2-8(15)6-17/h1,3,5,8H,2,4,6-7,15H2
InChIKeyVYLLBVARMKPLRS-UHFFFAOYSA-N
XLogP1.56
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxy-2-pyridinyl)pyrrolidin-3-amine
CID 83618665
1-[4-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]piperidin-4-amine
CID 134813656
1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine;dihydrochloride
CID 67243169
[1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methanamine
CID 66330460
(3S)-1-pyridin-2-ylpyrrolidin-3-amine;hydrochloride
CID 71643959
4-[(3S)-3-aminopyrrolidin-1-yl]pyrimidin-2-amine
CID 59631602
(3R,4R)-4-(hydroxymethyl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-ol
CID 155915627
(3R)-1-pyrazin-2-ylpyrrolidin-3-amine
CID 56965619
(3S)-1-(2-chloropyrimidin-4-yl)pyrrolidin-3-amine
CID 71643947
1-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine
CID 69070167
2-[4-(bromomethyl)piperidin-1-yl]-4-(trifluoromethyl)pyridine
CID 80669144
(3R)-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine
CID 68804646

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,2,2-trifluoroethoxy)-2-pyridinyl]pyrrolidin-3-amine?
The IUPAC name of 1-[4-(2,2,2-trifluoroethoxy)-2-pyridinyl]pyrrolidin-3-amine (CID 175146023) is 1-[4-(2,2,2-trifluoroethoxy)-2-pyridinyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-[4-(2,2,2-trifluoroethoxy)-2-pyridinyl]pyrrolidin-3-amine?
The canonical SMILES for 1-[4-(2,2,2-trifluoroethoxy)-2-pyridinyl]pyrrolidin-3-amine is NC1CCN(c2cc(OCC(F)(F)F)ccn2)C1.
What is the InChIKey of 1-[4-(2,2,2-trifluoroethoxy)-2-pyridinyl]pyrrolidin-3-amine?
The InChIKey is VYLLBVARMKPLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c12-11(13,14)7-18-9-1-3-16-10(5-9)17-4-2-8(15)6-17/h1,3,5,8H,2,4,6-7,15H2.
What are the key properties of 1-[4-(2,2,2-trifluoroethoxy)-2-pyridinyl]pyrrolidin-3-amine?
1-[4-(2,2,2-trifluoroethoxy)-2-pyridinyl]pyrrolidin-3-amine has a molecular weight of 261.25 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,2,2-trifluoroethoxy)-2-pyridinyl]pyrrolidin-3-amine is sourced from PubChem (CID 175146023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).