2-methyl-6-(trifluoromethyl)pyridine;2-propan-2-yloxane-3,4-diol

C15H22F3NO3 — CID 171557553

IUPAC2-methyl-6-(trifluoromethyl)pyridine;2-propan-2-yloxane-3,4-diol
SMILESCC(C)C1OCCC(O)C1O.Cc1cccc(C(F)(F)F)n1
InChIInChI=1S/C8H16O3.C7H6F3N/c1-5(2)8-7(10)6(9)3-4-11-8;1-5-3-2-4-6(11-5)7(8,9)10/h5-10H,3-4H2,1-2H3;2-4H,1H3
InChIKeyFDACQGHRAUMPHO-UHFFFAOYSA-N
MW321.34 g/mol
LogP2.56
Rot. Bonds1

About 2-methyl-6-(trifluoromethyl)pyridine;2-propan-2-yloxane-3,4-diol

2-methyl-6-(trifluoromethyl)pyridine;2-propan-2-yloxane-3,4-diol (PubChem CID 171557553) has the molecular formula C15H22F3NO3 and a molecular weight of 321.34 g/mol. Its IUPAC name is 2-methyl-6-(trifluoromethyl)pyridine;2-propan-2-yloxane-3,4-diol.

Molecular Properties

Compound Name2-methyl-6-(trifluoromethyl)pyridine;2-propan-2-yloxane-3,4-diol
PubChem CID171557553
Molecular FormulaC15H22F3NO3
Molecular Weight321.34 g/mol
Exact Mass321.16
IUPAC Name2-methyl-6-(trifluoromethyl)pyridine;2-propan-2-yloxane-3,4-diol
SMILESCC(C)C1OCCC(O)C1O.Cc1cccc(C(F)(F)F)n1
InChIInChI=1S/C8H16O3.C7H6F3N/c1-5(2)8-7(10)6(9)3-4-11-8;1-5-3-2-4-6(11-5)7(8,9)10/h5-10H,3-4H2,1-2H3;2-4H,1H3
InChIKeyFDACQGHRAUMPHO-UHFFFAOYSA-N
XLogP2.56
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Ethanol, 2-[3-(6-methyl-2-pyridinyl)propoxy]-
CID 116851
4-[6-(Trifluoromethyl)-2-pyridinyl]butan-2-ol
CID 176437246
2-[6-(Trifluoromethyl)-2-pyridinyl]propan-1-ol
CID 117104580
2,2-Difluoro-2-(6-propan-2-ylpyridin-2-yl)ethanol
CID 139360629
2-[6-(Difluoromethyl)-2-pyridinyl]propan-1-ol
CID 145298288
(2S)-2-[6-(trifluoromethyl)-2-pyridinyl]propan-1-ol
CID 156351943
1,1-Difluoro-2-methyl-1-(6-propan-2-yl-2-pyridinyl)propan-2-ol
CID 170145844
[5-(1,1-Difluoroethoxy)-3-[6-(1,1-difluoroethyl)-2-pyridinyl]cyclohexa-1,5-dien-1-yl]methanol
CID 170147079
2-(Hydroxymethyl)oxane-3,4-diol;2-methyl-6-(trifluoromethyl)pyridine
CID 171556780
2-ethyl-6-(trifluoromethyl)pyridine;4-methyl-3,4,5,6-tetrahydro-2H-pyran-6-ide;yttrium
CID 171557878
(2R,3R,4S,5S)-2-ethyl-5-[[6-(trifluoromethyl)-2-pyridinyl]sulfanyl]oxane-3,4-diol
CID 171558503
Ethane;2-ethyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite
CID 171558525

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(trifluoromethyl)pyridine;2-propan-2-yloxane-3,4-diol?
The IUPAC name of 2-methyl-6-(trifluoromethyl)pyridine;2-propan-2-yloxane-3,4-diol (CID 171557553) is 2-methyl-6-(trifluoromethyl)pyridine;2-propan-2-yloxane-3,4-diol.
What is the SMILES notation for 2-methyl-6-(trifluoromethyl)pyridine;2-propan-2-yloxane-3,4-diol?
The canonical SMILES for 2-methyl-6-(trifluoromethyl)pyridine;2-propan-2-yloxane-3,4-diol is CC(C)C1OCCC(O)C1O.Cc1cccc(C(F)(F)F)n1.
What is the InChIKey of 2-methyl-6-(trifluoromethyl)pyridine;2-propan-2-yloxane-3,4-diol?
The InChIKey is FDACQGHRAUMPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3.C7H6F3N/c1-5(2)8-7(10)6(9)3-4-11-8;1-5-3-2-4-6(11-5)7(8,9)10/h5-10H,3-4H2,1-2H3;2-4H,1H3.
What are the key properties of 2-methyl-6-(trifluoromethyl)pyridine;2-propan-2-yloxane-3,4-diol?
2-methyl-6-(trifluoromethyl)pyridine;2-propan-2-yloxane-3,4-diol has a molecular weight of 321.34 g/mol, XLogP of 2.56, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(trifluoromethyl)pyridine;2-propan-2-yloxane-3,4-diol is sourced from PubChem (CID 171557553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).