4-(7,7,7-trifluoro-4,6-dimethylhept-2-en-2-yl)pyridine

C14H18F3N — CID 91412002

IUPAC4-(7,7,7-trifluoro-4,6-dimethylhept-2-en-2-yl)pyridine
SMILESCC(=CC(C)CC(C)C(F)(F)F)c1ccncc1
InChIInChI=1S/C14H18F3N/c1-10(9-12(3)14(15,16)17)8-11(2)13-4-6-18-7-5-13/h4-8,10,12H,9H2,1-3H3
InChIKeyIZQSVTFJJNLKTD-UHFFFAOYSA-N
MW257.30 g/mol
LogP4.71
Rot. Bonds4

About 4-(7,7,7-trifluoro-4,6-dimethylhept-2-en-2-yl)pyridine

4-(7,7,7-trifluoro-4,6-dimethylhept-2-en-2-yl)pyridine (PubChem CID 91412002) has the molecular formula C14H18F3N and a molecular weight of 257.30 g/mol. Its IUPAC name is 4-(7,7,7-trifluoro-4,6-dimethylhept-2-en-2-yl)pyridine.

Molecular Properties

Compound Name4-(7,7,7-trifluoro-4,6-dimethylhept-2-en-2-yl)pyridine
PubChem CID91412002
Molecular FormulaC14H18F3N
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC Name4-(7,7,7-trifluoro-4,6-dimethylhept-2-en-2-yl)pyridine
SMILESCC(=CC(C)CC(C)C(F)(F)F)c1ccncc1
InChIInChI=1S/C14H18F3N/c1-10(9-12(3)14(15,16)17)8-11(2)13-4-6-18-7-5-13/h4-8,10,12H,9H2,1-3H3
InChIKeyIZQSVTFJJNLKTD-UHFFFAOYSA-N
XLogP4.71
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-(7,7,7-trifluoro-4,6-dimethylhept-2-en-2-yl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(7,7,7-trifluoro-4,6-dimethylhept-2-en-2-yl)pyridine?
The IUPAC name of 4-(7,7,7-trifluoro-4,6-dimethylhept-2-en-2-yl)pyridine (CID 91412002) is 4-(7,7,7-trifluoro-4,6-dimethylhept-2-en-2-yl)pyridine.
What is the SMILES notation for 4-(7,7,7-trifluoro-4,6-dimethylhept-2-en-2-yl)pyridine?
The canonical SMILES for 4-(7,7,7-trifluoro-4,6-dimethylhept-2-en-2-yl)pyridine is CC(=CC(C)CC(C)C(F)(F)F)c1ccncc1.
What is the InChIKey of 4-(7,7,7-trifluoro-4,6-dimethylhept-2-en-2-yl)pyridine?
The InChIKey is IZQSVTFJJNLKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N/c1-10(9-12(3)14(15,16)17)8-11(2)13-4-6-18-7-5-13/h4-8,10,12H,9H2,1-3H3.
What are the key properties of 4-(7,7,7-trifluoro-4,6-dimethylhept-2-en-2-yl)pyridine?
4-(7,7,7-trifluoro-4,6-dimethylhept-2-en-2-yl)pyridine has a molecular weight of 257.30 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7,7,7-trifluoro-4,6-dimethylhept-2-en-2-yl)pyridine is sourced from PubChem (CID 91412002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).