(2E)-4-methyl-3-methylidene-6-(trifluoromethyl)-2-[(E)-2-(trifluoromethyl)but-2-enylidene]pyridine

C13H11F6N — CID 163971105

IUPAC(2E)-4-methyl-3-methylidene-6-(trifluoromethyl)-2-[(E)-2-(trifluoromethyl)but-2-enylidene]pyridine
SMILESC=c1c(C)cc(C(F)(F)F)n/c1=C/C(=C\C)C(F)(F)F
InChIInChI=1S/C13H11F6N/c1-4-9(12(14,15)16)6-10-8(3)7(2)5-11(20-10)13(17,18)19/h4-6H,3H2,1-2H3/b9-4+,10-6+
InChIKeySQBFDKAALJMBKJ-IPHTWBMMSA-N
MW295.23 g/mol
LogP3.11
Rot. Bonds1

About (2E)-4-methyl-3-methylidene-6-(trifluoromethyl)-2-[(E)-2-(trifluoromethyl)but-2-enylidene]pyridine

(2E)-4-methyl-3-methylidene-6-(trifluoromethyl)-2-[(E)-2-(trifluoromethyl)but-2-enylidene]pyridine (PubChem CID 163971105) has the molecular formula C13H11F6N and a molecular weight of 295.23 g/mol. Its IUPAC name is (2E)-4-methyl-3-methylidene-6-(trifluoromethyl)-2-[(E)-2-(trifluoromethyl)but-2-enylidene]pyridine.

Molecular Properties

Compound Name(2E)-4-methyl-3-methylidene-6-(trifluoromethyl)-2-[(E)-2-(trifluoromethyl)but-2-enylidene]pyridine
PubChem CID163971105
Molecular FormulaC13H11F6N
Molecular Weight295.23 g/mol
Exact Mass295.08
IUPAC Name(2E)-4-methyl-3-methylidene-6-(trifluoromethyl)-2-[(E)-2-(trifluoromethyl)but-2-enylidene]pyridine
SMILESC=c1c(C)cc(C(F)(F)F)n/c1=C/C(=C\C)C(F)(F)F
InChIInChI=1S/C13H11F6N/c1-4-9(12(14,15)16)6-10-8(3)7(2)5-11(20-10)13(17,18)19/h4-6H,3H2,1-2H3/b9-4+,10-6+
InChIKeySQBFDKAALJMBKJ-IPHTWBMMSA-N
XLogP3.11
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.23
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 14610094
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6-methyl-2-methylidene-4-(trifluoromethyl)-3H-pyridine
CID 123927403
(E)-N-[(3E,5E)-7,7,7-trifluoro-2,6-dimethylhepta-1,3,5-trien-3-yl]pent-3-en-2-imine
CID 139518460
2-ethyl-5,7-difluoro-3-methyl-8H-cyclohepta[b]pyridine
CID 144450124
(E)-5-fluoro-3-methylidene-N-pent-1-en-2-ylhex-4-en-2-imine
CID 145128279
2,5-difluoro-6-propan-2-ylidene-N-prop-1-en-2-ylcyclohexa-2,4-dien-1-imine
CID 145509766
(2Z)-2-(1-fluoroprop-2-enylidene)-6-methyl-3-methylidenepyridine
CID 145600919
N-(4-fluoro-6-methylcyclohexa-1,5-dien-1-yl)propan-2-imine
CID 155402655
cesium 4-propan-2-yl-6-(trifluoromethyl)-2H-pyridin-2-ide
CID 155736411
7-[3,5-difluoro-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-2-methyl-3H-azepine
CID 163592512
(2Z,3Z)-4-ethenyl-3-ethylidene-6-(trifluoromethyl)-2-(1,1,1-trifluoropropan-2-ylidene)pyridine
CID 163614027

Frequently Asked Questions

What is the IUPAC name of (2E)-4-methyl-3-methylidene-6-(trifluoromethyl)-2-[(E)-2-(trifluoromethyl)but-2-enylidene]pyridine?
The IUPAC name of (2E)-4-methyl-3-methylidene-6-(trifluoromethyl)-2-[(E)-2-(trifluoromethyl)but-2-enylidene]pyridine (CID 163971105) is (2E)-4-methyl-3-methylidene-6-(trifluoromethyl)-2-[(E)-2-(trifluoromethyl)but-2-enylidene]pyridine.
What is the SMILES notation for (2E)-4-methyl-3-methylidene-6-(trifluoromethyl)-2-[(E)-2-(trifluoromethyl)but-2-enylidene]pyridine?
The canonical SMILES for (2E)-4-methyl-3-methylidene-6-(trifluoromethyl)-2-[(E)-2-(trifluoromethyl)but-2-enylidene]pyridine is C=c1c(C)cc(C(F)(F)F)n/c1=C/C(=C\C)C(F)(F)F.
What is the InChIKey of (2E)-4-methyl-3-methylidene-6-(trifluoromethyl)-2-[(E)-2-(trifluoromethyl)but-2-enylidene]pyridine?
The InChIKey is SQBFDKAALJMBKJ-IPHTWBMMSA-N. The full InChI is InChI=1S/C13H11F6N/c1-4-9(12(14,15)16)6-10-8(3)7(2)5-11(20-10)13(17,18)19/h4-6H,3H2,1-2H3/b9-4+,10-6+.
What are the key properties of (2E)-4-methyl-3-methylidene-6-(trifluoromethyl)-2-[(E)-2-(trifluoromethyl)but-2-enylidene]pyridine?
(2E)-4-methyl-3-methylidene-6-(trifluoromethyl)-2-[(E)-2-(trifluoromethyl)but-2-enylidene]pyridine has a molecular weight of 295.23 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-4-methyl-3-methylidene-6-(trifluoromethyl)-2-[(E)-2-(trifluoromethyl)but-2-enylidene]pyridine is sourced from PubChem (CID 163971105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).