3-hexan-2-yl-5-(trifluoromethyl)pyridine

C12H16F3N — CID 134266462

IUPAC3-hexan-2-yl-5-(trifluoromethyl)pyridine
SMILESCCCCC(C)c1cncc(C(F)(F)F)c1
InChIInChI=1S/C12H16F3N/c1-3-4-5-9(2)10-6-11(8-16-7-10)12(13,14)15/h6-9H,3-5H2,1-2H3
InChIKeyZQYTYZBXZIWUBI-UHFFFAOYSA-N
MW231.26 g/mol
LogP4.39
Rot. Bonds4

About 3-hexan-2-yl-5-(trifluoromethyl)pyridine

3-hexan-2-yl-5-(trifluoromethyl)pyridine (PubChem CID 134266462) has the molecular formula C12H16F3N and a molecular weight of 231.26 g/mol. Its IUPAC name is 3-hexan-2-yl-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-hexan-2-yl-5-(trifluoromethyl)pyridine
PubChem CID134266462
Molecular FormulaC12H16F3N
Molecular Weight231.26 g/mol
Exact Mass231.12
IUPAC Name3-hexan-2-yl-5-(trifluoromethyl)pyridine
SMILESCCCCC(C)c1cncc(C(F)(F)F)c1
InChIInChI=1S/C12H16F3N/c1-3-4-5-9(2)10-6-11(8-16-7-10)12(13,14)15/h6-9H,3-5H2,1-2H3
InChIKeyZQYTYZBXZIWUBI-UHFFFAOYSA-N
XLogP4.39
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-hexan-2-yl-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-hexan-2-yl-5-(trifluoromethyl)pyridine (CID 134266462) is 3-hexan-2-yl-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-hexan-2-yl-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-hexan-2-yl-5-(trifluoromethyl)pyridine is CCCCC(C)c1cncc(C(F)(F)F)c1.
What is the InChIKey of 3-hexan-2-yl-5-(trifluoromethyl)pyridine?
The InChIKey is ZQYTYZBXZIWUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N/c1-3-4-5-9(2)10-6-11(8-16-7-10)12(13,14)15/h6-9H,3-5H2,1-2H3.
What are the key properties of 3-hexan-2-yl-5-(trifluoromethyl)pyridine?
3-hexan-2-yl-5-(trifluoromethyl)pyridine has a molecular weight of 231.26 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexan-2-yl-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 134266462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).