2-butan-2-yloxy-3-(trifluoromethyl)pyridine

C10H12F3NO — CID 150604612

IUPAC2-butan-2-yloxy-3-(trifluoromethyl)pyridine
SMILESCCC(C)Oc1ncccc1C(F)(F)F
InChIInChI=1S/C10H12F3NO/c1-3-7(2)15-9-8(10(11,12)13)5-4-6-14-9/h4-7H,3H2,1-2H3
InChIKeyISPKPEYRYRXHNW-UHFFFAOYSA-N
MW219.21 g/mol
LogP3.28
Rot. Bonds3

About 2-butan-2-yloxy-3-(trifluoromethyl)pyridine

2-butan-2-yloxy-3-(trifluoromethyl)pyridine (PubChem CID 150604612) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is 2-butan-2-yloxy-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-butan-2-yloxy-3-(trifluoromethyl)pyridine
PubChem CID150604612
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name2-butan-2-yloxy-3-(trifluoromethyl)pyridine
SMILESCCC(C)Oc1ncccc1C(F)(F)F
InChIInChI=1S/C10H12F3NO/c1-3-7(2)15-9-8(10(11,12)13)5-4-6-14-9/h4-7H,3H2,1-2H3
InChIKeyISPKPEYRYRXHNW-UHFFFAOYSA-N
XLogP3.28
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

O-[3-(trifluoromethyl)-2-pyridinyl]hydroxylamine
CID 75176185
2-propan-2-yl-3-(trifluoromethyl)pyridine
CID 59735101
2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethanamine;hydrochloride
CID 71756841
1-butan-2-yl-2-[3-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 130198428
2-(2-butan-2-yloxyethoxy)-1,3-bis(trifluoromethyl)benzene
CID 130369329
2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenol
CID 60869902
8-[(2S)-butan-2-yl]oxyquinoline
CID 99646584
N-methyl-2-[3-(trifluoromethyl)-2-pyridinyl]pentan-3-amine
CID 63559822
3-butan-2-yloxy-2-chloropyridine
CID 65102026
5-deuterio-2-ethoxy-3-(trifluoromethyl)pyridine
CID 175830369
3-propan-2-yloxy-2-(2,2,2-trifluoroethoxy)pyridine
CID 164741273
(1S)-1-[3-(trifluoromethyl)-2-pyridinyl]ethanamine
CID 131017310

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yloxy-3-(trifluoromethyl)pyridine?
The IUPAC name of 2-butan-2-yloxy-3-(trifluoromethyl)pyridine (CID 150604612) is 2-butan-2-yloxy-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-butan-2-yloxy-3-(trifluoromethyl)pyridine?
The canonical SMILES for 2-butan-2-yloxy-3-(trifluoromethyl)pyridine is CCC(C)Oc1ncccc1C(F)(F)F.
What is the InChIKey of 2-butan-2-yloxy-3-(trifluoromethyl)pyridine?
The InChIKey is ISPKPEYRYRXHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO/c1-3-7(2)15-9-8(10(11,12)13)5-4-6-14-9/h4-7H,3H2,1-2H3.
What are the key properties of 2-butan-2-yloxy-3-(trifluoromethyl)pyridine?
2-butan-2-yloxy-3-(trifluoromethyl)pyridine has a molecular weight of 219.21 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yloxy-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 150604612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).