5-tert-butyl-1-(1-fluoroethyl)-2-methylidenepyridine

C12H18FN — CID 134559782

IUPAC5-tert-butyl-1-(1-fluoroethyl)-2-methylidenepyridine
SMILESC=C1C=CC(C(C)(C)C)=CN1C(C)F
InChIInChI=1S/C12H18FN/c1-9-6-7-11(12(3,4)5)8-14(9)10(2)13/h6-8,10H,1H2,2-5H3
InChIKeyZNNOBQZFIPJQDW-UHFFFAOYSA-N
MW195.28 g/mol
LogP3.62
Rot. Bonds1

About 5-tert-butyl-1-(1-fluoroethyl)-2-methylidenepyridine

5-tert-butyl-1-(1-fluoroethyl)-2-methylidenepyridine (PubChem CID 134559782) has the molecular formula C12H18FN and a molecular weight of 195.28 g/mol. Its IUPAC name is 5-tert-butyl-1-(1-fluoroethyl)-2-methylidenepyridine.

Molecular Properties

Compound Name5-tert-butyl-1-(1-fluoroethyl)-2-methylidenepyridine
PubChem CID134559782
Molecular FormulaC12H18FN
Molecular Weight195.28 g/mol
Exact Mass195.14
IUPAC Name5-tert-butyl-1-(1-fluoroethyl)-2-methylidenepyridine
SMILESC=C1C=CC(C(C)(C)C)=CN1C(C)F
InChIInChI=1S/C12H18FN/c1-9-6-7-11(12(3,4)5)8-14(9)10(2)13/h6-8,10H,1H2,2-5H3
InChIKeyZNNOBQZFIPJQDW-UHFFFAOYSA-N
XLogP3.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 5-tert-butyl-1-(1-fluoroethyl)-2-methylidenepyridine 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-Tert-butyl-8-methyl-10,10a-dihydropyrido[1,2-a]azepine
CID 10878547
4,8,10a-trimethyl-10H-pyrido[1,2-a]azepine
CID 21597247
1,4-Di-t-butylpyridine
CID 66942442
(3Z,5E,8Z)-5-fluoro-1,8-dimethyl-2-methylidene-1-azacycloundeca-3,5,8-triene
CID 89299112
5-tert-butyl-6-fluoro-1-methyl-2H-pyridine
CID 91405121
1-(Difluoromethyl)-2-methylidene-5-propan-2-ylpyridine
CID 117878111
5-Tert-butyl-1-(difluoromethyl)-2-methylidenepyridine
CID 117878183
(E)-N'-(4-tert-butylcyclohexa-2,4-dien-1-yl)-N'-(4-fluoro-2-methylcyclopenta-1,4-dien-1-yl)ethene-1,2-diamine
CID 118616268
1-Ethyl-2-methylidene-5-(trifluoromethyl)pyridine
CID 123548735
4-fluoro-N-methyl-N-(3-methylidenepenta-1,4-dienyl)cyclohexa-1,3-dien-1-amine
CID 123679769
5-fluoro-N,4,4-trimethyl-N-prop-1-en-2-ylcyclohexa-1,5-dien-1-amine
CID 126590863
N,N-diethyl-4-fluorocyclohexa-1,5-dien-1-amine
CID 126629579

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-(1-fluoroethyl)-2-methylidenepyridine?
The IUPAC name of 5-tert-butyl-1-(1-fluoroethyl)-2-methylidenepyridine (CID 134559782) is 5-tert-butyl-1-(1-fluoroethyl)-2-methylidenepyridine.
What is the SMILES notation for 5-tert-butyl-1-(1-fluoroethyl)-2-methylidenepyridine?
The canonical SMILES for 5-tert-butyl-1-(1-fluoroethyl)-2-methylidenepyridine is C=C1C=CC(C(C)(C)C)=CN1C(C)F.
What is the InChIKey of 5-tert-butyl-1-(1-fluoroethyl)-2-methylidenepyridine?
The InChIKey is ZNNOBQZFIPJQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN/c1-9-6-7-11(12(3,4)5)8-14(9)10(2)13/h6-8,10H,1H2,2-5H3.
What are the key properties of 5-tert-butyl-1-(1-fluoroethyl)-2-methylidenepyridine?
5-tert-butyl-1-(1-fluoroethyl)-2-methylidenepyridine has a molecular weight of 195.28 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-(1-fluoroethyl)-2-methylidenepyridine is sourced from PubChem (CID 134559782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).