5-(fluoromethoxy)-2-(3-methylbut-3-en-2-yl)-1,2,3,6-tetrahydropyridine

C11H18FNO — CID 90736308

IUPAC5-(fluoromethoxy)-2-(3-methylbut-3-en-2-yl)-1,2,3,6-tetrahydropyridine
SMILESC=C(C)C(C)C1CC=C(OCF)CN1
InChIInChI=1S/C11H18FNO/c1-8(2)9(3)11-5-4-10(6-13-11)14-7-12/h4,9,11,13H,1,5-7H2,2-3H3
InChIKeyQFGBYJDAGMDHJF-UHFFFAOYSA-N
MW199.27 g/mol
LogP2.39
Rot. Bonds4

About 5-(fluoromethoxy)-2-(3-methylbut-3-en-2-yl)-1,2,3,6-tetrahydropyridine

5-(fluoromethoxy)-2-(3-methylbut-3-en-2-yl)-1,2,3,6-tetrahydropyridine (PubChem CID 90736308) has the molecular formula C11H18FNO and a molecular weight of 199.27 g/mol. Its IUPAC name is 5-(fluoromethoxy)-2-(3-methylbut-3-en-2-yl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name5-(fluoromethoxy)-2-(3-methylbut-3-en-2-yl)-1,2,3,6-tetrahydropyridine
PubChem CID90736308
Molecular FormulaC11H18FNO
Molecular Weight199.27 g/mol
Exact Mass199.14
IUPAC Name5-(fluoromethoxy)-2-(3-methylbut-3-en-2-yl)-1,2,3,6-tetrahydropyridine
SMILESC=C(C)C(C)C1CC=C(OCF)CN1
InChIInChI=1S/C11H18FNO/c1-8(2)9(3)11-5-4-10(6-13-11)14-7-12/h4,9,11,13H,1,5-7H2,2-3H3
InChIKeyQFGBYJDAGMDHJF-UHFFFAOYSA-N
XLogP2.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(fluoromethoxy)-2-(3-methylbut-3-en-2-yl)-1,2,3,6-tetrahydropyridine with MolForge

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

Launch Full Analysis

Related Compounds

2-But-3-en-2-yl-5-(2,2-difluorobutoxy)-1,2,3,6-tetrahydropyridine
CID 91029455
(E)-N-(cyclohexylmethyl)-2-methoxypent-2-en-1-amine
CID 163785087
5-Methoxy-3-propyl-1,2,3,6-tetrahydropyridine
CID 173435638
1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-3-methylbutan-1-amine
CID 102647187
1-(3,4-dihydro-2H-pyran-6-yl)-3-methyl-N-propylbutan-1-amine
CID 102647188
1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2-methylbutan-1-amine
CID 102647446
1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-N-propylbutan-1-amine
CID 102647447
1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-N-propylpentan-1-amine
CID 102648967
1-(3,4-dihydro-2H-pyran-6-yl)-2,3-dimethyl-N-propylbutan-1-amine
CID 102648975
1-(3,4-dihydro-2H-pyran-6-yl)-N,2-dimethylpentan-1-amine
CID 102649005
1-(3,4-dihydro-2H-pyran-6-yl)-N,3-dimethylpentan-1-amine
CID 102649059
1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2,3-dimethylbutan-1-amine
CID 102649112

Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethoxy)-2-(3-methylbut-3-en-2-yl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 5-(fluoromethoxy)-2-(3-methylbut-3-en-2-yl)-1,2,3,6-tetrahydropyridine (CID 90736308) is 5-(fluoromethoxy)-2-(3-methylbut-3-en-2-yl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 5-(fluoromethoxy)-2-(3-methylbut-3-en-2-yl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 5-(fluoromethoxy)-2-(3-methylbut-3-en-2-yl)-1,2,3,6-tetrahydropyridine is C=C(C)C(C)C1CC=C(OCF)CN1.
What is the InChIKey of 5-(fluoromethoxy)-2-(3-methylbut-3-en-2-yl)-1,2,3,6-tetrahydropyridine?
The InChIKey is QFGBYJDAGMDHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FNO/c1-8(2)9(3)11-5-4-10(6-13-11)14-7-12/h4,9,11,13H,1,5-7H2,2-3H3.
What are the key properties of 5-(fluoromethoxy)-2-(3-methylbut-3-en-2-yl)-1,2,3,6-tetrahydropyridine?
5-(fluoromethoxy)-2-(3-methylbut-3-en-2-yl)-1,2,3,6-tetrahydropyridine has a molecular weight of 199.27 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethoxy)-2-(3-methylbut-3-en-2-yl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 90736308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).