4-[2-(trifluoromethyl)oxan-2-yl]pyridin-3-amine

C11H13F3N2O — CID 66652583

IUPAC4-[2-(trifluoromethyl)oxan-2-yl]pyridin-3-amine
SMILESNc1cnccc1C1(C(F)(F)F)CCCCO1
InChIInChI=1S/C11H13F3N2O/c12-11(13,14)10(4-1-2-6-17-10)8-3-5-16-7-9(8)15/h3,5,7H,1-2,4,6,15H2
InChIKeyQACZADSCAWEWRK-UHFFFAOYSA-N
MW246.23 g/mol
LogP2.62
Rot. Bonds1

About 4-[2-(trifluoromethyl)oxan-2-yl]pyridin-3-amine

4-[2-(trifluoromethyl)oxan-2-yl]pyridin-3-amine (PubChem CID 66652583) has the molecular formula C11H13F3N2O and a molecular weight of 246.23 g/mol. Its IUPAC name is 4-[2-(trifluoromethyl)oxan-2-yl]pyridin-3-amine.

Molecular Properties

Compound Name4-[2-(trifluoromethyl)oxan-2-yl]pyridin-3-amine
PubChem CID66652583
Molecular FormulaC11H13F3N2O
Molecular Weight246.23 g/mol
Exact Mass246.10
IUPAC Name4-[2-(trifluoromethyl)oxan-2-yl]pyridin-3-amine
SMILESNc1cnccc1C1(C(F)(F)F)CCCCO1
InChIInChI=1S/C11H13F3N2O/c12-11(13,14)10(4-1-2-6-17-10)8-3-5-16-7-9(8)15/h3,5,7H,1-2,4,6,15H2
InChIKeyQACZADSCAWEWRK-UHFFFAOYSA-N
XLogP2.62
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[2-(trifluoromethyl)oxan-2-yl]pyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5H,7H,8H-pyrano[4,3-b]pyridin-3-amine
CID 10796917
rac-(2R,4R)-2-(pyridin-3-yl)oxan-4-amine
CID 82653977
(4S,5R)-4-fluoro-4,5-dimethyl-2-phenyl-5H-pyrido[3,2-d][1,3]oxazepine
CID 154715593
2-(2-Pyridyldifluoromethyl)-2-(2,4-difluorophenyl)oxirane
CID 10850521
(2R,3S)-2-(pyridin-4-yl)oxan-3-amine dihydrochloride
CID 86811720
rac-(2R,3S)-2-(pyridin-4-yl)oxan-3-amine
CID 124709131
4,4'-Bis(2,2,2-trifluoroethoxymethyl)-2,2'-bipyridine
CID 90702809
5-[(2R,4S)-4-methyloxan-2-yl]-2-(trifluoromethyl)pyridine
CID 138976349
4-[(2R)-oxolan-2-yl]-2-(trifluoromethyl)pyridine
CID 138979697
4-(2,2,2-Trifluoro-1-methoxy-1-phenylethyl)pyridine
CID 154715913
4-fluoro-4-methyl-2-phenyl-5H-pyrido[3,2-d][1,3]oxazepine
CID 177855909
4-fluoro-4,5-dimethyl-2-phenyl-5H-pyrido[3,2-d][1,3]oxazepine
CID 177855914

Frequently Asked Questions

What is the IUPAC name of 4-[2-(trifluoromethyl)oxan-2-yl]pyridin-3-amine?
The IUPAC name of 4-[2-(trifluoromethyl)oxan-2-yl]pyridin-3-amine (CID 66652583) is 4-[2-(trifluoromethyl)oxan-2-yl]pyridin-3-amine.
What is the SMILES notation for 4-[2-(trifluoromethyl)oxan-2-yl]pyridin-3-amine?
The canonical SMILES for 4-[2-(trifluoromethyl)oxan-2-yl]pyridin-3-amine is Nc1cnccc1C1(C(F)(F)F)CCCCO1.
What is the InChIKey of 4-[2-(trifluoromethyl)oxan-2-yl]pyridin-3-amine?
The InChIKey is QACZADSCAWEWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O/c12-11(13,14)10(4-1-2-6-17-10)8-3-5-16-7-9(8)15/h3,5,7H,1-2,4,6,15H2.
What are the key properties of 4-[2-(trifluoromethyl)oxan-2-yl]pyridin-3-amine?
4-[2-(trifluoromethyl)oxan-2-yl]pyridin-3-amine has a molecular weight of 246.23 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(trifluoromethyl)oxan-2-yl]pyridin-3-amine is sourced from PubChem (CID 66652583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).