6-ethoxy-3-hexan-3-yl-2-(trifluoromethyl)pyridine

C14H20F3NO — CID 146382799

IUPAC6-ethoxy-3-hexan-3-yl-2-(trifluoromethyl)pyridine
SMILESCCCC(CC)c1ccc(OCC)nc1C(F)(F)F
InChIInChI=1S/C14H20F3NO/c1-4-7-10(5-2)11-8-9-12(19-6-3)18-13(11)14(15,16)17/h8-10H,4-7H2,1-3H3
InChIKeyPWJUOZWBJGGYDR-UHFFFAOYSA-N
MW275.31 g/mol
LogP4.79
Rot. Bonds6

About 6-ethoxy-3-hexan-3-yl-2-(trifluoromethyl)pyridine

6-ethoxy-3-hexan-3-yl-2-(trifluoromethyl)pyridine (PubChem CID 146382799) has the molecular formula C14H20F3NO and a molecular weight of 275.31 g/mol. Its IUPAC name is 6-ethoxy-3-hexan-3-yl-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name6-ethoxy-3-hexan-3-yl-2-(trifluoromethyl)pyridine
PubChem CID146382799
Molecular FormulaC14H20F3NO
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC Name6-ethoxy-3-hexan-3-yl-2-(trifluoromethyl)pyridine
SMILESCCCC(CC)c1ccc(OCC)nc1C(F)(F)F
InChIInChI=1S/C14H20F3NO/c1-4-7-10(5-2)11-8-9-12(19-6-3)18-13(11)14(15,16)17/h8-10H,4-7H2,1-3H3
InChIKeyPWJUOZWBJGGYDR-UHFFFAOYSA-N
XLogP4.79
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-ethoxy-2-(trifluoromethyl)pyridin-3-amine
CID 130058116
3-tert-butyl-6-ethoxy-2-(trifluoromethyl)pyridine
CID 146488321
N-methyl-5-pentan-2-yl-6-(trifluoromethyl)pyridin-2-amine
CID 166688473
2-fluoro-1-hexan-3-yl-4-(trifluoromethyl)benzene
CID 170267047
4-deuterio-2-ethoxy-6-(trifluoromethyl)pyridine
CID 175830368
1-heptan-4-yl-4-methoxy-2-(trifluoromethyl)benzene
CID 134265966
5-ethoxy-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine
CID 79815994
2-ethoxy-3-hexan-3-ylpyridine
CID 130368203
2-hexan-3-ylnaphthalen-1-amine
CID 22706829
4-fluoro-1-pentan-3-yl-2-(trifluoromethyl)benzene
CID 146382757
3-(1-pyrazol-1-ylpropan-2-yl)-2-(trifluoromethyl)-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyridine
CID 162608788
2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-1,1,1-trifluoropropan-2-amine
CID 79815424

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-3-hexan-3-yl-2-(trifluoromethyl)pyridine?
The IUPAC name of 6-ethoxy-3-hexan-3-yl-2-(trifluoromethyl)pyridine (CID 146382799) is 6-ethoxy-3-hexan-3-yl-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 6-ethoxy-3-hexan-3-yl-2-(trifluoromethyl)pyridine?
The canonical SMILES for 6-ethoxy-3-hexan-3-yl-2-(trifluoromethyl)pyridine is CCCC(CC)c1ccc(OCC)nc1C(F)(F)F.
What is the InChIKey of 6-ethoxy-3-hexan-3-yl-2-(trifluoromethyl)pyridine?
The InChIKey is PWJUOZWBJGGYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO/c1-4-7-10(5-2)11-8-9-12(19-6-3)18-13(11)14(15,16)17/h8-10H,4-7H2,1-3H3.
What are the key properties of 6-ethoxy-3-hexan-3-yl-2-(trifluoromethyl)pyridine?
6-ethoxy-3-hexan-3-yl-2-(trifluoromethyl)pyridine has a molecular weight of 275.31 g/mol, XLogP of 4.79, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-3-hexan-3-yl-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 146382799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).