2-propan-2-yl-6-(2,2,2-trifluoroethoxymethyl)pyridine

C11H14F3NO — CID 20709403

IUPAC2-propan-2-yl-6-(2,2,2-trifluoroethoxymethyl)pyridine
SMILESCC(C)c1cccc(COCC(F)(F)F)n1
InChIInChI=1S/C11H14F3NO/c1-8(2)10-5-3-4-9(15-10)6-16-7-11(12,13)14/h3-5,8H,6-7H2,1-2H3
InChIKeyFGQDIPHWIXRUDI-UHFFFAOYSA-N
MW233.23 g/mol
LogP3.28
Rot. Bonds4

About 2-propan-2-yl-6-(2,2,2-trifluoroethoxymethyl)pyridine

2-propan-2-yl-6-(2,2,2-trifluoroethoxymethyl)pyridine (PubChem CID 20709403) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is 2-propan-2-yl-6-(2,2,2-trifluoroethoxymethyl)pyridine.

Molecular Properties

Compound Name2-propan-2-yl-6-(2,2,2-trifluoroethoxymethyl)pyridine
PubChem CID20709403
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name2-propan-2-yl-6-(2,2,2-trifluoroethoxymethyl)pyridine
SMILESCC(C)c1cccc(COCC(F)(F)F)n1
InChIInChI=1S/C11H14F3NO/c1-8(2)10-5-3-4-9(15-10)6-16-7-11(12,13)14/h3-5,8H,6-7H2,1-2H3
InChIKeyFGQDIPHWIXRUDI-UHFFFAOYSA-N
XLogP3.28
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-6-(2,2,2-trifluoroethoxymethyl)pyridine
CID 20709426
2-methyl-N-[[6-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]methyl]propan-1-amine
CID 106907602
(6-propan-2-yl-2-pyridinyl)methyl carbamate
CID 175093258
6-(2,2,2-trifluoroethoxymethyl)pyridine-2-carboxylic acid
CID 106903249
(6-propan-2-yl-2-pyridinyl)methanamine
CID 59570017
2-(6-propan-2-yl-2-pyridinyl)ethanol
CID 67800992
2-(6-propan-2-yl-2-pyridinyl)ethanamine
CID 20823809
N-methyl-N-[(6-propan-2-yl-2-pyridinyl)methyl]ethanamine
CID 156651988
2-[2-(6-propan-2-yl-2-pyridinyl)ethyl]pyrimidine
CID 170196877
4-propan-2-yl-2-(2,2,2-trifluoroethoxy)pyrimidine
CID 90379560
1-butan-2-yl-3-(2,2,2-trifluoroethoxymethyl)pyrazole
CID 122171757
N-ethyl-N-[(6-propan-2-yl-2-pyridinyl)methyl]ethanamine
CID 138538363

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-6-(2,2,2-trifluoroethoxymethyl)pyridine?
The IUPAC name of 2-propan-2-yl-6-(2,2,2-trifluoroethoxymethyl)pyridine (CID 20709403) is 2-propan-2-yl-6-(2,2,2-trifluoroethoxymethyl)pyridine.
What is the SMILES notation for 2-propan-2-yl-6-(2,2,2-trifluoroethoxymethyl)pyridine?
The canonical SMILES for 2-propan-2-yl-6-(2,2,2-trifluoroethoxymethyl)pyridine is CC(C)c1cccc(COCC(F)(F)F)n1.
What is the InChIKey of 2-propan-2-yl-6-(2,2,2-trifluoroethoxymethyl)pyridine?
The InChIKey is FGQDIPHWIXRUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-8(2)10-5-3-4-9(15-10)6-16-7-11(12,13)14/h3-5,8H,6-7H2,1-2H3.
What are the key properties of 2-propan-2-yl-6-(2,2,2-trifluoroethoxymethyl)pyridine?
2-propan-2-yl-6-(2,2,2-trifluoroethoxymethyl)pyridine has a molecular weight of 233.23 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-6-(2,2,2-trifluoroethoxymethyl)pyridine is sourced from PubChem (CID 20709403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).