4,6-bis(trifluoromethyl)-2,3-dihydropyridine

C7H5F6N — CID 141238199

IUPAC4,6-bis(trifluoromethyl)-2,3-dihydropyridine
SMILESFC(F)(F)C1=CC(C(F)(F)F)=NCC1
InChIInChI=1S/C7H5F6N/c8-6(9,10)4-1-2-14-5(3-4)7(11,12)13/h3H,1-2H2
InChIKeyCZTTWKSRGXTTTA-UHFFFAOYSA-N
MW217.11 g/mol
LogP2.88
Rot. Bonds

About 4,6-bis(trifluoromethyl)-2,3-dihydropyridine

4,6-bis(trifluoromethyl)-2,3-dihydropyridine (PubChem CID 141238199) has the molecular formula C7H5F6N and a molecular weight of 217.11 g/mol. Its IUPAC name is 4,6-bis(trifluoromethyl)-2,3-dihydropyridine.

Molecular Properties

Compound Name4,6-bis(trifluoromethyl)-2,3-dihydropyridine
PubChem CID141238199
Molecular FormulaC7H5F6N
Molecular Weight217.11 g/mol
Exact Mass217.03
IUPAC Name4,6-bis(trifluoromethyl)-2,3-dihydropyridine
SMILESFC(F)(F)C1=CC(C(F)(F)F)=NCC1
InChIInChI=1S/C7H5F6N/c8-6(9,10)4-1-2-14-5(3-4)7(11,12)13/h3H,1-2H2
InChIKeyCZTTWKSRGXTTTA-UHFFFAOYSA-N
XLogP2.88
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.11
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Fluoro-4-(trifluoromethyl)-2,3-dihydropyridine-6-carbonitrile
CID 68266630
3-Fluoro-4-(trifluoromethyl)-2,3-dihydropyridine-6-carbonitrile
CID 68266631
4-Ethyl-6-(trifluoromethyl)-2,3-dihydropyridine
CID 70307572
1,1,1-trifluoro-N,4-dimethylpent-3-en-2-imine
CID 118281586
(E)-N-butan-2-yl-1,1,5,5-tetrafluoro-4-methylpent-3-en-2-imine
CID 123185746
4-Methyl-6-(trifluoromethyl)-2,3-dihydropyridine
CID 123506679
(E)-5,5,5-trifluoro-N,4-dimethylpent-3-en-2-imine
CID 123696234
6-Fluoro-5-(trifluoromethyl)-2,3-dihydropyridine
CID 123936766
1,1,1-trifluoro-4-methyl-N-propylpent-3-en-2-imine
CID 138509578
4-(Trifluoromethyl)-2,3-dihydropyridine
CID 141152517
6-(Trifluoromethyl)-2,3-dihydropyridine
CID 153700013
3-Fluoro-6-(trifluoromethyl)-2,3-dihydropyridine
CID 168920428

Frequently Asked Questions

What is the IUPAC name of 4,6-bis(trifluoromethyl)-2,3-dihydropyridine?
The IUPAC name of 4,6-bis(trifluoromethyl)-2,3-dihydropyridine (CID 141238199) is 4,6-bis(trifluoromethyl)-2,3-dihydropyridine.
What is the SMILES notation for 4,6-bis(trifluoromethyl)-2,3-dihydropyridine?
The canonical SMILES for 4,6-bis(trifluoromethyl)-2,3-dihydropyridine is FC(F)(F)C1=CC(C(F)(F)F)=NCC1.
What is the InChIKey of 4,6-bis(trifluoromethyl)-2,3-dihydropyridine?
The InChIKey is CZTTWKSRGXTTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F6N/c8-6(9,10)4-1-2-14-5(3-4)7(11,12)13/h3H,1-2H2.
What are the key properties of 4,6-bis(trifluoromethyl)-2,3-dihydropyridine?
4,6-bis(trifluoromethyl)-2,3-dihydropyridine has a molecular weight of 217.11 g/mol, XLogP of 2.88, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(trifluoromethyl)-2,3-dihydropyridine is sourced from PubChem (CID 141238199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).