6-[5-(2,2,2-trifluoroethyl)cyclohexa-2,4-dien-1-yl]-2,3-dihydropyridine

C13H14F3N — CID 142832138

IUPAC6-[5-(2,2,2-trifluoroethyl)cyclohexa-2,4-dien-1-yl]-2,3-dihydropyridine
SMILESFC(F)(F)CC1=CC=CC(C2=NCCC=C2)C1
InChIInChI=1S/C13H14F3N/c14-13(15,16)9-10-4-3-5-11(8-10)12-6-1-2-7-17-12/h1,3-6,11H,2,7-9H2
InChIKeyDGKRPPAIHWDXID-UHFFFAOYSA-N
MW241.26 g/mol
LogP3.84
Rot. Bonds2

About 6-[5-(2,2,2-trifluoroethyl)cyclohexa-2,4-dien-1-yl]-2,3-dihydropyridine

6-[5-(2,2,2-trifluoroethyl)cyclohexa-2,4-dien-1-yl]-2,3-dihydropyridine (PubChem CID 142832138) has the molecular formula C13H14F3N and a molecular weight of 241.26 g/mol. Its IUPAC name is 6-[5-(2,2,2-trifluoroethyl)cyclohexa-2,4-dien-1-yl]-2,3-dihydropyridine.

Molecular Properties

Compound Name6-[5-(2,2,2-trifluoroethyl)cyclohexa-2,4-dien-1-yl]-2,3-dihydropyridine
PubChem CID142832138
Molecular FormulaC13H14F3N
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC Name6-[5-(2,2,2-trifluoroethyl)cyclohexa-2,4-dien-1-yl]-2,3-dihydropyridine
SMILESFC(F)(F)CC1=CC=CC(C2=NCCC=C2)C1
InChIInChI=1S/C13H14F3N/c14-13(15,16)9-10-4-3-5-11(8-10)12-6-1-2-7-17-12/h1,3-6,11H,2,7-9H2
InChIKeyDGKRPPAIHWDXID-UHFFFAOYSA-N
XLogP3.84
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4,6-Difluorocyclohexa-1,3-dien-1-yl)-4-methyl-3,4-dihydropyridine
CID 71069156
6-(Difluoromethyl)-5-ethenyl-3-ethyl-2,3-dihydropyridine
CID 90977674
N-ethenyl-1-[4-(trifluoromethyl)cyclohexen-1-yl]prop-2-en-1-imine
CID 123848729
N-methyl-1-[4-(trifluoromethyl)cyclohexen-1-yl]ethanimine
CID 123865859
1-[(6S)-6-ethenyl-2,4-difluoro-6-methylcyclohexa-1,3-dien-1-yl]-N-methylethanimine
CID 134485298
6-(1,1,2,2,2-pentafluoroethyl)-6,7-dihydro-5H-indole
CID 151583537
6-(trifluoromethyl)-6,7-dihydro-5H-indole
CID 153975006
(4E)-N,2-dimethyl-4-(trifluoromethyl)hepta-4,6-dien-3-imine
CID 156851943
3-Fluoro-5-propan-2-yl-2,3-dihydroquinoline
CID 163719688
1-(4,4-difluorocyclohexyl)-N-[(E)-2-(4,5-dimethylcyclohexa-2,4-dien-1-yl)pent-1-enyl]ethanimine
CID 167149016
(5S,8R)-5-fluoro-8-methyl-2,3,5,6,7,8-hexahydroquinoline
CID 170294076
7-(Trifluoromethyl)-2,3,4,4a-tetrahydroquinolin-1-ium
CID 173058275

Frequently Asked Questions

What is the IUPAC name of 6-[5-(2,2,2-trifluoroethyl)cyclohexa-2,4-dien-1-yl]-2,3-dihydropyridine?
The IUPAC name of 6-[5-(2,2,2-trifluoroethyl)cyclohexa-2,4-dien-1-yl]-2,3-dihydropyridine (CID 142832138) is 6-[5-(2,2,2-trifluoroethyl)cyclohexa-2,4-dien-1-yl]-2,3-dihydropyridine.
What is the SMILES notation for 6-[5-(2,2,2-trifluoroethyl)cyclohexa-2,4-dien-1-yl]-2,3-dihydropyridine?
The canonical SMILES for 6-[5-(2,2,2-trifluoroethyl)cyclohexa-2,4-dien-1-yl]-2,3-dihydropyridine is FC(F)(F)CC1=CC=CC(C2=NCCC=C2)C1.
What is the InChIKey of 6-[5-(2,2,2-trifluoroethyl)cyclohexa-2,4-dien-1-yl]-2,3-dihydropyridine?
The InChIKey is DGKRPPAIHWDXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N/c14-13(15,16)9-10-4-3-5-11(8-10)12-6-1-2-7-17-12/h1,3-6,11H,2,7-9H2.
What are the key properties of 6-[5-(2,2,2-trifluoroethyl)cyclohexa-2,4-dien-1-yl]-2,3-dihydropyridine?
6-[5-(2,2,2-trifluoroethyl)cyclohexa-2,4-dien-1-yl]-2,3-dihydropyridine has a molecular weight of 241.26 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(2,2,2-trifluoroethyl)cyclohexa-2,4-dien-1-yl]-2,3-dihydropyridine is sourced from PubChem (CID 142832138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).