1-methyl-2-methylidene-5-propan-2-yl-3-(trifluoromethyl)pyridine

C11H14F3N — CID 170097852

IUPAC1-methyl-2-methylidene-5-propan-2-yl-3-(trifluoromethyl)pyridine
SMILESC=C1C(C(F)(F)F)=CC(C(C)C)=CN1C
InChIInChI=1S/C11H14F3N/c1-7(2)9-5-10(11(12,13)14)8(3)15(4)6-9/h5-7H,3H2,1-2,4H3
InChIKeyCXGAJAZPUJYSRR-UHFFFAOYSA-N
MW217.23 g/mol
LogP3.47
Rot. Bonds1

About 1-methyl-2-methylidene-5-propan-2-yl-3-(trifluoromethyl)pyridine

1-methyl-2-methylidene-5-propan-2-yl-3-(trifluoromethyl)pyridine (PubChem CID 170097852) has the molecular formula C11H14F3N and a molecular weight of 217.23 g/mol. Its IUPAC name is 1-methyl-2-methylidene-5-propan-2-yl-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name1-methyl-2-methylidene-5-propan-2-yl-3-(trifluoromethyl)pyridine
PubChem CID170097852
Molecular FormulaC11H14F3N
Molecular Weight217.23 g/mol
Exact Mass217.11
IUPAC Name1-methyl-2-methylidene-5-propan-2-yl-3-(trifluoromethyl)pyridine
SMILESC=C1C(C(F)(F)F)=CC(C(C)C)=CN1C
InChIInChI=1S/C11H14F3N/c1-7(2)9-5-10(11(12,13)14)8(3)15(4)6-9/h5-7H,3H2,1-2,4H3
InChIKeyCXGAJAZPUJYSRR-UHFFFAOYSA-N
XLogP3.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-methyl-2-methylidene-5-propan-2-yl-3-(trifluoromethyl)pyridine 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-Methylidene-1-(2-methylpropyl)-5-(trifluoromethyl)pyridine
CID 67473380
(3E)-7,7,7-trifluoro-N,N,6-trimethylhepta-1,3-dien-3-amine
CID 88578859
1-(Difluoromethyl)-2-methylidene-5-propan-2-ylpyridine
CID 117878111
5-Tert-butyl-1-(difluoromethyl)-2-methylidenepyridine
CID 117878183
2-ethyl-1,6-dimethyl-4-(trifluoromethyl)-2H-pyridine
CID 123161901
N-ethenyl-7-methyl-N-(2,2,2-trifluoroethyl)cyclohepta-1,3,6-trien-1-amine
CID 123191642
N,N,3-trimethyl-6-(trifluoromethyl)deca-2,4,6-trien-4-amine
CID 123265710
1-Ethyl-2-methylidene-5-(trifluoromethyl)pyridine
CID 123548735
1,6-dimethyl-4-(trifluoromethyl)-2H-pyridine
CID 123633847
7,9-difluoro-1-methyl-2H-quinolizine
CID 123865940
6-Ethyl-10-methyl-3-(trifluoromethyl)-8,9-dihydropyrido[1,2-a]azepine
CID 123877213
1,1,3-trimethyl-5-(trifluoromethyl)-2H-pyridin-1-ium
CID 123991187

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-methylidene-5-propan-2-yl-3-(trifluoromethyl)pyridine?
The IUPAC name of 1-methyl-2-methylidene-5-propan-2-yl-3-(trifluoromethyl)pyridine (CID 170097852) is 1-methyl-2-methylidene-5-propan-2-yl-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 1-methyl-2-methylidene-5-propan-2-yl-3-(trifluoromethyl)pyridine?
The canonical SMILES for 1-methyl-2-methylidene-5-propan-2-yl-3-(trifluoromethyl)pyridine is C=C1C(C(F)(F)F)=CC(C(C)C)=CN1C.
What is the InChIKey of 1-methyl-2-methylidene-5-propan-2-yl-3-(trifluoromethyl)pyridine?
The InChIKey is CXGAJAZPUJYSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N/c1-7(2)9-5-10(11(12,13)14)8(3)15(4)6-9/h5-7H,3H2,1-2,4H3.
What are the key properties of 1-methyl-2-methylidene-5-propan-2-yl-3-(trifluoromethyl)pyridine?
1-methyl-2-methylidene-5-propan-2-yl-3-(trifluoromethyl)pyridine has a molecular weight of 217.23 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-methylidene-5-propan-2-yl-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 170097852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).