2-(4,4,4-trifluorobut-1-en-2-yl)pyridine

C9H8F3N — CID 102489188

IUPAC2-(4,4,4-trifluorobut-1-en-2-yl)pyridine
SMILESC=C(CC(F)(F)F)c1ccccn1
InChIInChI=1S/C9H8F3N/c1-7(6-9(10,11)12)8-4-2-3-5-13-8/h2-5H,1,6H2
InChIKeyLYVJMCLPIPSVJY-UHFFFAOYSA-N
MW187.16 g/mol
LogP3.05
Rot. Bonds2

About 2-(4,4,4-trifluorobut-1-en-2-yl)pyridine

2-(4,4,4-trifluorobut-1-en-2-yl)pyridine (PubChem CID 102489188) has the molecular formula C9H8F3N and a molecular weight of 187.16 g/mol. Its IUPAC name is 2-(4,4,4-trifluorobut-1-en-2-yl)pyridine.

Molecular Properties

Compound Name2-(4,4,4-trifluorobut-1-en-2-yl)pyridine
PubChem CID102489188
Molecular FormulaC9H8F3N
Molecular Weight187.16 g/mol
Exact Mass187.06
IUPAC Name2-(4,4,4-trifluorobut-1-en-2-yl)pyridine
SMILESC=C(CC(F)(F)F)c1ccccn1
InChIInChI=1S/C9H8F3N/c1-7(6-9(10,11)12)8-4-2-3-5-13-8/h2-5H,1,6H2
InChIKeyLYVJMCLPIPSVJY-UHFFFAOYSA-N
XLogP3.05
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.16
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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N-(2,2-difluoro-2-phenylethyl)pyridine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-(4,4,4-trifluorobut-1-en-2-yl)pyridine?
The IUPAC name of 2-(4,4,4-trifluorobut-1-en-2-yl)pyridine (CID 102489188) is 2-(4,4,4-trifluorobut-1-en-2-yl)pyridine.
What is the SMILES notation for 2-(4,4,4-trifluorobut-1-en-2-yl)pyridine?
The canonical SMILES for 2-(4,4,4-trifluorobut-1-en-2-yl)pyridine is C=C(CC(F)(F)F)c1ccccn1.
What is the InChIKey of 2-(4,4,4-trifluorobut-1-en-2-yl)pyridine?
The InChIKey is LYVJMCLPIPSVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N/c1-7(6-9(10,11)12)8-4-2-3-5-13-8/h2-5H,1,6H2.
What are the key properties of 2-(4,4,4-trifluorobut-1-en-2-yl)pyridine?
2-(4,4,4-trifluorobut-1-en-2-yl)pyridine has a molecular weight of 187.16 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4,4-trifluorobut-1-en-2-yl)pyridine is sourced from PubChem (CID 102489188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).