2-[(E)-7,7-difluoro-5-methylhept-2-en-3-yl]-3,5,6-trimethyl-1,2,3,4-tetrahydropyridine

C16H27F2N — CID 137400808

IUPAC2-[(E)-7,7-difluoro-5-methylhept-2-en-3-yl]-3,5,6-trimethyl-1,2,3,4-tetrahydropyridine
SMILESC/C=C(\CC(C)CC(F)F)C1NC(C)=C(C)CC1C
InChIInChI=1S/C16H27F2N/c1-6-14(7-10(2)8-15(17)18)16-12(4)9-11(3)13(5)19-16/h6,10,12,15-16,19H,7-9H2,1-5H3/b14-6+
InChIKeyQGTUHBUQTCIDEM-MKMNVTDBSA-N
MW271.39 g/mol
LogP4.91
Rot. Bonds5

About 2-[(E)-7,7-difluoro-5-methylhept-2-en-3-yl]-3,5,6-trimethyl-1,2,3,4-tetrahydropyridine

2-[(E)-7,7-difluoro-5-methylhept-2-en-3-yl]-3,5,6-trimethyl-1,2,3,4-tetrahydropyridine (PubChem CID 137400808) has the molecular formula C16H27F2N and a molecular weight of 271.39 g/mol. Its IUPAC name is 2-[(E)-7,7-difluoro-5-methylhept-2-en-3-yl]-3,5,6-trimethyl-1,2,3,4-tetrahydropyridine.

Molecular Properties

Compound Name2-[(E)-7,7-difluoro-5-methylhept-2-en-3-yl]-3,5,6-trimethyl-1,2,3,4-tetrahydropyridine
PubChem CID137400808
Molecular FormulaC16H27F2N
Molecular Weight271.39 g/mol
Exact Mass271.21
IUPAC Name2-[(E)-7,7-difluoro-5-methylhept-2-en-3-yl]-3,5,6-trimethyl-1,2,3,4-tetrahydropyridine
SMILESC/C=C(\CC(C)CC(F)F)C1NC(C)=C(C)CC1C
InChIInChI=1S/C16H27F2N/c1-6-14(7-10(2)8-15(17)18)16-12(4)9-11(3)13(5)19-16/h6,10,12,15-16,19H,7-9H2,1-5H3/b14-6+
InChIKeyQGTUHBUQTCIDEM-MKMNVTDBSA-N
XLogP4.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[(E)-7,7-difluoro-5-methylhept-2-en-3-yl]-3,5,6-trimethyl-1,2,3,4-tetrahydropyridine 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 2-[(E)-7,7-difluoro-5-methylhept-2-en-3-yl]-3,5,6-trimethyl-1,2,3,4-tetrahydropyridine?
The IUPAC name of 2-[(E)-7,7-difluoro-5-methylhept-2-en-3-yl]-3,5,6-trimethyl-1,2,3,4-tetrahydropyridine (CID 137400808) is 2-[(E)-7,7-difluoro-5-methylhept-2-en-3-yl]-3,5,6-trimethyl-1,2,3,4-tetrahydropyridine.
What is the SMILES notation for 2-[(E)-7,7-difluoro-5-methylhept-2-en-3-yl]-3,5,6-trimethyl-1,2,3,4-tetrahydropyridine?
The canonical SMILES for 2-[(E)-7,7-difluoro-5-methylhept-2-en-3-yl]-3,5,6-trimethyl-1,2,3,4-tetrahydropyridine is C/C=C(\CC(C)CC(F)F)C1NC(C)=C(C)CC1C.
What is the InChIKey of 2-[(E)-7,7-difluoro-5-methylhept-2-en-3-yl]-3,5,6-trimethyl-1,2,3,4-tetrahydropyridine?
The InChIKey is QGTUHBUQTCIDEM-MKMNVTDBSA-N. The full InChI is InChI=1S/C16H27F2N/c1-6-14(7-10(2)8-15(17)18)16-12(4)9-11(3)13(5)19-16/h6,10,12,15-16,19H,7-9H2,1-5H3/b14-6+.
What are the key properties of 2-[(E)-7,7-difluoro-5-methylhept-2-en-3-yl]-3,5,6-trimethyl-1,2,3,4-tetrahydropyridine?
2-[(E)-7,7-difluoro-5-methylhept-2-en-3-yl]-3,5,6-trimethyl-1,2,3,4-tetrahydropyridine has a molecular weight of 271.39 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-7,7-difluoro-5-methylhept-2-en-3-yl]-3,5,6-trimethyl-1,2,3,4-tetrahydropyridine is sourced from PubChem (CID 137400808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).