3-fluoro-6-(trifluoromethyl)-2,3-dihydropyridine

C6H5F4N — CID 168920428

IUPAC3-fluoro-6-(trifluoromethyl)-2,3-dihydropyridine
SMILESFC1C=CC(C(F)(F)F)=NC1
InChIInChI=1S/C6H5F4N/c7-4-1-2-5(11-3-4)6(8,9)10/h1-2,4H,3H2
InChIKeyHWKRULMBDCEIKY-UHFFFAOYSA-N
MW167.11 g/mol
LogP1.90
Rot. Bonds

About 3-fluoro-6-(trifluoromethyl)-2,3-dihydropyridine

3-fluoro-6-(trifluoromethyl)-2,3-dihydropyridine (PubChem CID 168920428) has the molecular formula C6H5F4N and a molecular weight of 167.11 g/mol. Its IUPAC name is 3-fluoro-6-(trifluoromethyl)-2,3-dihydropyridine.

Molecular Properties

Compound Name3-fluoro-6-(trifluoromethyl)-2,3-dihydropyridine
PubChem CID168920428
Molecular FormulaC6H5F4N
Molecular Weight167.11 g/mol
Exact Mass167.04
IUPAC Name3-fluoro-6-(trifluoromethyl)-2,3-dihydropyridine
SMILESFC1C=CC(C(F)(F)F)=NC1
InChIInChI=1S/C6H5F4N/c7-4-1-2-5(11-3-4)6(8,9)10/h1-2,4H,3H2
InChIKeyHWKRULMBDCEIKY-UHFFFAOYSA-N
XLogP1.90
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.11
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-(trifluoromethyl)-2H-pyrrole
CID 58924994
3-Methyl-6-(trifluoromethyl)-2,3-dihydropyridine
CID 67489736
lithium;6-(difluoromethyl)-3H-pyridin-3-ide
CID 85959934
2,3-difluoro-3-(trifluoromethyl)-2H-pyridine
CID 88634232
3-Fluoro-6-methyl-2,3-dihydropyridine
CID 89932263
3,3-Difluoropyridine hydrochloride
CID 90015073
3,3-difluoro-2H-pyridine
CID 90015074
1,1,1-trifluoro-N-methylhex-3-en-2-imine
CID 123164940
1,1,1-trifluoro-N-methylpent-3-en-2-imine
CID 123560506
2,6-Difluoro-2,3-dihydropyridine
CID 134567908
(Z)-1,1-difluoro-N-methylpent-3-en-2-imine
CID 138552264
4,6-Bis(trifluoromethyl)-2,3-dihydropyridine
CID 141238199

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-6-(trifluoromethyl)-2,3-dihydropyridine?
The IUPAC name of 3-fluoro-6-(trifluoromethyl)-2,3-dihydropyridine (CID 168920428) is 3-fluoro-6-(trifluoromethyl)-2,3-dihydropyridine.
What is the SMILES notation for 3-fluoro-6-(trifluoromethyl)-2,3-dihydropyridine?
The canonical SMILES for 3-fluoro-6-(trifluoromethyl)-2,3-dihydropyridine is FC1C=CC(C(F)(F)F)=NC1.
What is the InChIKey of 3-fluoro-6-(trifluoromethyl)-2,3-dihydropyridine?
The InChIKey is HWKRULMBDCEIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F4N/c7-4-1-2-5(11-3-4)6(8,9)10/h1-2,4H,3H2.
What are the key properties of 3-fluoro-6-(trifluoromethyl)-2,3-dihydropyridine?
3-fluoro-6-(trifluoromethyl)-2,3-dihydropyridine has a molecular weight of 167.11 g/mol, XLogP of 1.90, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-6-(trifluoromethyl)-2,3-dihydropyridine is sourced from PubChem (CID 168920428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).