6-(cyclopropylmethyl)-2-methyl-3-propan-2-ylpyridine;ethane;trifluoro(methoxy)methane

C17H28F3NO — CID 176693998

IUPAC6-(cyclopropylmethyl)-2-methyl-3-propan-2-ylpyridine;ethane;trifluoro(methoxy)methane
SMILESCC.COC(F)(F)F.Cc1nc(CC2CC2)ccc1C(C)C
InChIInChI=1S/C13H19N.C2H3F3O.C2H6/c1-9(2)13-7-6-12(14-10(13)3)8-11-4-5-11;1-6-2(3,4)5;1-2/h6-7,9,11H,4-5,8H2,1-3H3;1H3;1-2H3
InChIKeyURAJPTKSTJMRTI-UHFFFAOYSA-N
MW319.41 g/mol
LogP5.64
Rot. Bonds3

About 6-(cyclopropylmethyl)-2-methyl-3-propan-2-ylpyridine;ethane;trifluoro(methoxy)methane

6-(cyclopropylmethyl)-2-methyl-3-propan-2-ylpyridine;ethane;trifluoro(methoxy)methane (PubChem CID 176693998) has the molecular formula C17H28F3NO and a molecular weight of 319.41 g/mol. Its IUPAC name is 6-(cyclopropylmethyl)-2-methyl-3-propan-2-ylpyridine;ethane;trifluoro(methoxy)methane.

Molecular Properties

Compound Name6-(cyclopropylmethyl)-2-methyl-3-propan-2-ylpyridine;ethane;trifluoro(methoxy)methane
PubChem CID176693998
Molecular FormulaC17H28F3NO
Molecular Weight319.41 g/mol
Exact Mass319.21
IUPAC Name6-(cyclopropylmethyl)-2-methyl-3-propan-2-ylpyridine;ethane;trifluoro(methoxy)methane
SMILESCC.COC(F)(F)F.Cc1nc(CC2CC2)ccc1C(C)C
InChIInChI=1S/C13H19N.C2H3F3O.C2H6/c1-9(2)13-7-6-12(14-10(13)3)8-11-4-5-11;1-6-2(3,4)5;1-2/h6-7,9,11H,4-5,8H2,1-3H3;1H3;1-2H3
InChIKeyURAJPTKSTJMRTI-UHFFFAOYSA-N
XLogP5.64
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.41
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylmethyl)-2-methyl-3-propan-2-ylpyridine;ethane;trifluoro(methoxy)methane?
The IUPAC name of 6-(cyclopropylmethyl)-2-methyl-3-propan-2-ylpyridine;ethane;trifluoro(methoxy)methane (CID 176693998) is 6-(cyclopropylmethyl)-2-methyl-3-propan-2-ylpyridine;ethane;trifluoro(methoxy)methane.
What is the SMILES notation for 6-(cyclopropylmethyl)-2-methyl-3-propan-2-ylpyridine;ethane;trifluoro(methoxy)methane?
The canonical SMILES for 6-(cyclopropylmethyl)-2-methyl-3-propan-2-ylpyridine;ethane;trifluoro(methoxy)methane is CC.COC(F)(F)F.Cc1nc(CC2CC2)ccc1C(C)C.
What is the InChIKey of 6-(cyclopropylmethyl)-2-methyl-3-propan-2-ylpyridine;ethane;trifluoro(methoxy)methane?
The InChIKey is URAJPTKSTJMRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N.C2H3F3O.C2H6/c1-9(2)13-7-6-12(14-10(13)3)8-11-4-5-11;1-6-2(3,4)5;1-2/h6-7,9,11H,4-5,8H2,1-3H3;1H3;1-2H3.
What are the key properties of 6-(cyclopropylmethyl)-2-methyl-3-propan-2-ylpyridine;ethane;trifluoro(methoxy)methane?
6-(cyclopropylmethyl)-2-methyl-3-propan-2-ylpyridine;ethane;trifluoro(methoxy)methane has a molecular weight of 319.41 g/mol, XLogP of 5.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylmethyl)-2-methyl-3-propan-2-ylpyridine;ethane;trifluoro(methoxy)methane is sourced from PubChem (CID 176693998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).