2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene

C18H22F3N — CID 162046659

IUPAC2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene
SMILESCC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccccn1
InChIInChI=1S/C10H11F3.C8H11N/c1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-7(2)8-5-3-4-6-9-8/h3-7H,1-2H3;3-7H,1-2H3
InChIKeyYXYZYQGOMJAJMT-UHFFFAOYSA-N
MW309.38 g/mol
LogP6.03
Rot. Bonds2

About 2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene

2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene (PubChem CID 162046659) has the molecular formula C18H22F3N and a molecular weight of 309.38 g/mol. Its IUPAC name is 2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene
PubChem CID162046659
Molecular FormulaC18H22F3N
Molecular Weight309.38 g/mol
Exact Mass309.17
IUPAC Name2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene
SMILESCC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccccn1
InChIInChI=1S/C10H11F3.C8H11N/c1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-7(2)8-5-3-4-6-9-8/h3-7H,1-2H3;3-7H,1-2H3
InChIKeyYXYZYQGOMJAJMT-UHFFFAOYSA-N
XLogP6.03
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.38
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;2-propan-2-ylpyridine;4-propan-2-ylpyridine
CID 159031608
ethane;pyridin-2-yl-[4-(trifluoromethyl)phenyl]methanamine
CID 145107737
cumene;ethane;2-propan-2-ylpyridine
CID 160627938
(S)-pyridin-2-yl-[4-(trifluoromethyl)phenyl]methanamine
CID 71164818
N-(1-pyridin-2-ylethyl)-4-(trifluoromethyl)aniline
CID 43192853
ethane;2-methylpropane;2-propan-2-ylpyridine
CID 160963174
2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine
CID 155572043
N-methyl-1-pyridin-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 75417275
(1S)-N-methyl-1-pyridin-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 97314250
methane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine
CID 158880002
2-(1,1,1-trifluoro-3-methylbutan-2-yl)pyridine
CID 166470570
[4-[pyridin-2-yl-[4-(trifluoromethyl)phenyl]methyl]phenyl] acetate
CID 162673252

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene?
The IUPAC name of 2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene (CID 162046659) is 2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene.
What is the SMILES notation for 2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene?
The canonical SMILES for 2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene is CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccccn1.
What is the InChIKey of 2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene?
The InChIKey is YXYZYQGOMJAJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3.C8H11N/c1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-7(2)8-5-3-4-6-9-8/h3-7H,1-2H3;3-7H,1-2H3.
What are the key properties of 2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene?
2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene has a molecular weight of 309.38 g/mol, XLogP of 6.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene is sourced from PubChem (CID 162046659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).