2-[2-[(2R)-butan-2-yl]phenoxy]-5-(trifluoromethyl)pyridine

C16H16F3NO — CID 894667

IUPAC2-[2-[(2R)-butan-2-yl]phenoxy]-5-(trifluoromethyl)pyridine
SMILESCC[C@@H](C)c1ccccc1Oc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C16H16F3NO/c1-3-11(2)13-6-4-5-7-14(13)21-15-9-8-12(10-20-15)16(17,18)19/h4-11H,3H2,1-2H3/t11-/m1/s1
InChIKeyALNQYTQCZAUHIW-LLVKDONJSA-N
MW295.30 g/mol
LogP5.41
Rot. Bonds4

About 2-[2-[(2R)-butan-2-yl]phenoxy]-5-(trifluoromethyl)pyridine

2-[2-[(2R)-butan-2-yl]phenoxy]-5-(trifluoromethyl)pyridine (PubChem CID 894667) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is 2-[2-[(2R)-butan-2-yl]phenoxy]-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[2-[(2R)-butan-2-yl]phenoxy]-5-(trifluoromethyl)pyridine
PubChem CID894667
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name2-[2-[(2R)-butan-2-yl]phenoxy]-5-(trifluoromethyl)pyridine
SMILESCC[C@@H](C)c1ccccc1Oc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C16H16F3NO/c1-3-11(2)13-6-4-5-7-14(13)21-15-9-8-12(10-20-15)16(17,18)19/h4-11H,3H2,1-2H3/t11-/m1/s1
InChIKeyALNQYTQCZAUHIW-LLVKDONJSA-N
XLogP5.41
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.30
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-butan-2-ylphenoxy)-5-(chloromethyl)pyridine
CID 61268989
2-(2-methoxyphenoxy)-5-(trifluoromethyl)pyridine
CID 70516115
2-(2-fluorophenoxy)-5-(trifluoromethyl)pyridine
CID 894987
2-(5-methyl-2-propan-2-ylphenoxy)-5-(trifluoromethyl)pyridine
CID 895271
1-butan-2-yl-2-(trifluoromethoxy)benzene;ethane
CID 142580959
(2R)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]butan-2-amine
CID 97179058
2-(2-methylpentoxy)-5-(trifluoromethyl)pyridine
CID 162563286
[4-(2-butan-2-ylphenoxy)pyrimidin-2-yl]hydrazine
CID 80916193
6-(2-butan-2-ylphenoxy)-N-ethylpyrimidin-4-amine
CID 80881551
ethyl (3Z)-3-[2-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoyloxyimino]butanoate
CID 88703378
2-(2-butan-2-ylphenoxy)ethanolate
CID 164822470
6-(2-propan-2-ylphenoxy)pyridin-3-amine
CID 16641865

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2R)-butan-2-yl]phenoxy]-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-[2-[(2R)-butan-2-yl]phenoxy]-5-(trifluoromethyl)pyridine (CID 894667) is 2-[2-[(2R)-butan-2-yl]phenoxy]-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[2-[(2R)-butan-2-yl]phenoxy]-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[2-[(2R)-butan-2-yl]phenoxy]-5-(trifluoromethyl)pyridine is CC[C@@H](C)c1ccccc1Oc1ccc(C(F)(F)F)cn1.
What is the InChIKey of 2-[2-[(2R)-butan-2-yl]phenoxy]-5-(trifluoromethyl)pyridine?
The InChIKey is ALNQYTQCZAUHIW-LLVKDONJSA-N. The full InChI is InChI=1S/C16H16F3NO/c1-3-11(2)13-6-4-5-7-14(13)21-15-9-8-12(10-20-15)16(17,18)19/h4-11H,3H2,1-2H3/t11-/m1/s1.
What are the key properties of 2-[2-[(2R)-butan-2-yl]phenoxy]-5-(trifluoromethyl)pyridine?
2-[2-[(2R)-butan-2-yl]phenoxy]-5-(trifluoromethyl)pyridine has a molecular weight of 295.30 g/mol, XLogP of 5.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2R)-butan-2-yl]phenoxy]-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 894667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).