2-(oxolan-3-yloxy)-5-propan-2-yl-3-(trifluoromethyl)pyridine

C13H16F3NO2 — CID 167302803

IUPAC2-(oxolan-3-yloxy)-5-propan-2-yl-3-(trifluoromethyl)pyridine
SMILESCC(C)c1cnc(OC2CCOC2)c(C(F)(F)F)c1
InChIInChI=1S/C13H16F3NO2/c1-8(2)9-5-11(13(14,15)16)12(17-6-9)19-10-3-4-18-7-10/h5-6,8,10H,3-4,7H2,1-2H3
InChIKeyQULDBIUPTPLPHB-UHFFFAOYSA-N
MW275.27 g/mol
LogP3.39
Rot. Bonds3

About 2-(oxolan-3-yloxy)-5-propan-2-yl-3-(trifluoromethyl)pyridine

2-(oxolan-3-yloxy)-5-propan-2-yl-3-(trifluoromethyl)pyridine (PubChem CID 167302803) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is 2-(oxolan-3-yloxy)-5-propan-2-yl-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(oxolan-3-yloxy)-5-propan-2-yl-3-(trifluoromethyl)pyridine
PubChem CID167302803
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC Name2-(oxolan-3-yloxy)-5-propan-2-yl-3-(trifluoromethyl)pyridine
SMILESCC(C)c1cnc(OC2CCOC2)c(C(F)(F)F)c1
InChIInChI=1S/C13H16F3NO2/c1-8(2)9-5-11(13(14,15)16)12(17-6-9)19-10-3-4-18-7-10/h5-6,8,10H,3-4,7H2,1-2H3
InChIKeyQULDBIUPTPLPHB-UHFFFAOYSA-N
XLogP3.39
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(4-propan-2-ylphenoxy)oxolane
CID 59112216
(3S)-3-(3-methoxy-5-propan-2-ylphenoxy)oxolane
CID 59511891
(3R)-3-(3-methoxy-5-propan-2-ylphenoxy)oxolane
CID 59511904
5-chloro-2-[(3R)-oxolan-3-yl]oxy-N-propan-2-ylpyridin-3-amine
CID 137449494
5-cyclopropyl-6-[(3S)-oxolan-3-yl]oxypyridine-3-carboxylic acid
CID 125491947
(1R)-1-[3-[(3R)-oxolan-3-yl]oxyphenyl]ethanamine
CID 67021938
ethane;5-propan-2-yl-3-(trifluoromethyl)pyridine-2-carbonitrile
CID 177335328
(1S)-1-[5-(oxolan-3-yloxy)-2-pyridinyl]ethanamine
CID 83123778
5-bromo-6-(oxolan-3-yloxy)pyridin-3-amine
CID 79535032
3-[(3S)-oxolan-3-yl]oxy-5-(5-propan-2-yl-1,3-thiazol-2-yl)-N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide
CID 134327894
4-(oxolan-3-yloxy)-2-(trifluoromethyl)benzenecarbothioamide
CID 63558040
4-[4-butan-2-yl-2-(trifluoromethyl)phenoxy]oxane
CID 90927060

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-yloxy)-5-propan-2-yl-3-(trifluoromethyl)pyridine?
The IUPAC name of 2-(oxolan-3-yloxy)-5-propan-2-yl-3-(trifluoromethyl)pyridine (CID 167302803) is 2-(oxolan-3-yloxy)-5-propan-2-yl-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(oxolan-3-yloxy)-5-propan-2-yl-3-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(oxolan-3-yloxy)-5-propan-2-yl-3-(trifluoromethyl)pyridine is CC(C)c1cnc(OC2CCOC2)c(C(F)(F)F)c1.
What is the InChIKey of 2-(oxolan-3-yloxy)-5-propan-2-yl-3-(trifluoromethyl)pyridine?
The InChIKey is QULDBIUPTPLPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2/c1-8(2)9-5-11(13(14,15)16)12(17-6-9)19-10-3-4-18-7-10/h5-6,8,10H,3-4,7H2,1-2H3.
What are the key properties of 2-(oxolan-3-yloxy)-5-propan-2-yl-3-(trifluoromethyl)pyridine?
2-(oxolan-3-yloxy)-5-propan-2-yl-3-(trifluoromethyl)pyridine has a molecular weight of 275.27 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-yloxy)-5-propan-2-yl-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 167302803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).