2-(5-methyl-2-propan-2-ylphenoxy)-5-(trifluoromethyl)pyridine

C16H16F3NO — CID 895271

IUPAC2-(5-methyl-2-propan-2-ylphenoxy)-5-(trifluoromethyl)pyridine
SMILESCc1ccc(C(C)C)c(Oc2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/C16H16F3NO/c1-10(2)13-6-4-11(3)8-14(13)21-15-7-5-12(9-20-15)16(17,18)19/h4-10H,1-3H3
InChIKeyKTTGEGKBUIBWKQ-UHFFFAOYSA-N
MW295.30 g/mol
LogP5.32
Rot. Bonds3

About 2-(5-methyl-2-propan-2-ylphenoxy)-5-(trifluoromethyl)pyridine

2-(5-methyl-2-propan-2-ylphenoxy)-5-(trifluoromethyl)pyridine (PubChem CID 895271) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is 2-(5-methyl-2-propan-2-ylphenoxy)-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(5-methyl-2-propan-2-ylphenoxy)-5-(trifluoromethyl)pyridine
PubChem CID895271
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name2-(5-methyl-2-propan-2-ylphenoxy)-5-(trifluoromethyl)pyridine
SMILESCc1ccc(C(C)C)c(Oc2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/C16H16F3NO/c1-10(2)13-6-4-11(3)8-14(13)21-15-7-5-12(9-20-15)16(17,18)19/h4-10H,1-3H3
InChIKeyKTTGEGKBUIBWKQ-UHFFFAOYSA-N
XLogP5.32
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.30
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-methyl-4-(4-methylphenyl)phenoxy]-5-(trifluoromethyl)pyridine
CID 2435081
2-(5-bromo-2-methylphenoxy)-5-(trifluoromethyl)pyridine
CID 66876057
2-[2-[(2R)-butan-2-yl]phenoxy]-5-(trifluoromethyl)pyridine
CID 894667
2-(2-methoxyphenoxy)-5-(trifluoromethyl)pyridine
CID 70516115
2-[2,2-dichloro-1-fluoro-1-(5-methyl-2-propan-2-ylphenoxy)ethoxy]-4-methyl-1-propan-2-ylbenzene
CID 155930094
2-(2-fluorophenoxy)-5-(trifluoromethyl)pyridine
CID 894987
4-chloro-2-methyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidine
CID 62481702
(5-methyl-2-propan-2-ylphenyl) 2,2,2-trifluoroethanesulfonate
CID 75447874
2-(5-methyl-2-propan-2-ylphenoxy)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 17071417
N-methyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrazin-2-amine
CID 80863610
5-methoxy-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline
CID 16776346
[4-(5-methyl-2-propan-2-ylphenoxy)pyrimidin-2-yl]hydrazine
CID 80915964

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-propan-2-ylphenoxy)-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-(5-methyl-2-propan-2-ylphenoxy)-5-(trifluoromethyl)pyridine (CID 895271) is 2-(5-methyl-2-propan-2-ylphenoxy)-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(5-methyl-2-propan-2-ylphenoxy)-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(5-methyl-2-propan-2-ylphenoxy)-5-(trifluoromethyl)pyridine is Cc1ccc(C(C)C)c(Oc2ccc(C(F)(F)F)cn2)c1.
What is the InChIKey of 2-(5-methyl-2-propan-2-ylphenoxy)-5-(trifluoromethyl)pyridine?
The InChIKey is KTTGEGKBUIBWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO/c1-10(2)13-6-4-11(3)8-14(13)21-15-7-5-12(9-20-15)16(17,18)19/h4-10H,1-3H3.
What are the key properties of 2-(5-methyl-2-propan-2-ylphenoxy)-5-(trifluoromethyl)pyridine?
2-(5-methyl-2-propan-2-ylphenoxy)-5-(trifluoromethyl)pyridine has a molecular weight of 295.30 g/mol, XLogP of 5.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-propan-2-ylphenoxy)-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 895271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).