3-[(3E)-4-(trifluoromethyl)hexa-1,3-dien-2-yl]pyridine

C12H12F3N — CID 143483764

IUPAC3-[(3E)-4-(trifluoromethyl)hexa-1,3-dien-2-yl]pyridine
SMILESC=C(/C=C(\CC)C(F)(F)F)c1cccnc1
InChIInChI=1S/C12H12F3N/c1-3-11(12(13,14)15)7-9(2)10-5-4-6-16-8-10/h4-8H,2-3H2,1H3/b11-7+
InChIKeyWTIZKWWXGJAJAS-YRNVUSSQSA-N
MW227.23 g/mol
LogP3.99
Rot. Bonds3

About 3-[(3E)-4-(trifluoromethyl)hexa-1,3-dien-2-yl]pyridine

3-[(3E)-4-(trifluoromethyl)hexa-1,3-dien-2-yl]pyridine (PubChem CID 143483764) has the molecular formula C12H12F3N and a molecular weight of 227.23 g/mol. Its IUPAC name is 3-[(3E)-4-(trifluoromethyl)hexa-1,3-dien-2-yl]pyridine.

Molecular Properties

Compound Name3-[(3E)-4-(trifluoromethyl)hexa-1,3-dien-2-yl]pyridine
PubChem CID143483764
Molecular FormulaC12H12F3N
Molecular Weight227.23 g/mol
Exact Mass227.09
IUPAC Name3-[(3E)-4-(trifluoromethyl)hexa-1,3-dien-2-yl]pyridine
SMILESC=C(/C=C(\CC)C(F)(F)F)c1cccnc1
InChIInChI=1S/C12H12F3N/c1-3-11(12(13,14)15)7-9(2)10-5-4-6-16-8-10/h4-8H,2-3H2,1H3/b11-7+
InChIKeyWTIZKWWXGJAJAS-YRNVUSSQSA-N
XLogP3.99
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-pyridin-3-ylpent-1-en-3-one
CID 155931297
(1Z)-3-pyridin-3-ylbuta-1,3-dien-1-amine
CID 142226114
N-[(Z)-propylideneamino]-1-pyridin-3-ylethenamine
CID 143941163
1,1,1-trifluoro-4-hydroxy-4-pyridin-3-ylbut-3-en-2-one
CID 781038
ethyl 2,2,2-trifluoroacetate;pyridine-3-carboxylic acid
CID 159414829
3,3,3-trifluoro-2,2-dimethyl-1-pyridin-3-ylpropan-1-one
CID 174395736
iodoethane;pyridine-3-carboxylic acid
CID 158495952
4,4,4-trifluoro-1-pyridin-3-ylbutane-1,3-dione;hydrochloride
CID 163330137
pyridine-3-carbohydrazide;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate
CID 161305630
3-[[4-[(3Z)-4-methoxyhexa-1,3-dien-2-yl]phenyl]methoxy]pyridine
CID 143746919
ethane;2-fluoro-N-(5-methyl-2-pyridinyl)pyridine-4-carboxamide;3-[(3E)-5,5,5-trifluoro-4-methylpenta-1,3-dien-2-yl]pyridine
CID 143484630
3-[(Z)-but-2-en-2-yl]pyridine
CID 101055092

Frequently Asked Questions

What is the IUPAC name of 3-[(3E)-4-(trifluoromethyl)hexa-1,3-dien-2-yl]pyridine?
The IUPAC name of 3-[(3E)-4-(trifluoromethyl)hexa-1,3-dien-2-yl]pyridine (CID 143483764) is 3-[(3E)-4-(trifluoromethyl)hexa-1,3-dien-2-yl]pyridine.
What is the SMILES notation for 3-[(3E)-4-(trifluoromethyl)hexa-1,3-dien-2-yl]pyridine?
The canonical SMILES for 3-[(3E)-4-(trifluoromethyl)hexa-1,3-dien-2-yl]pyridine is C=C(/C=C(\CC)C(F)(F)F)c1cccnc1.
What is the InChIKey of 3-[(3E)-4-(trifluoromethyl)hexa-1,3-dien-2-yl]pyridine?
The InChIKey is WTIZKWWXGJAJAS-YRNVUSSQSA-N. The full InChI is InChI=1S/C12H12F3N/c1-3-11(12(13,14)15)7-9(2)10-5-4-6-16-8-10/h4-8H,2-3H2,1H3/b11-7+.
What are the key properties of 3-[(3E)-4-(trifluoromethyl)hexa-1,3-dien-2-yl]pyridine?
3-[(3E)-4-(trifluoromethyl)hexa-1,3-dien-2-yl]pyridine has a molecular weight of 227.23 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3E)-4-(trifluoromethyl)hexa-1,3-dien-2-yl]pyridine is sourced from PubChem (CID 143483764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).