4-(difluoromethyl)-6-fluoro-2,3-dihydropyridine

C6H6F3N — CID 162611855

IUPAC4-(difluoromethyl)-6-fluoro-2,3-dihydropyridine
SMILESFC1=NCCC(C(F)F)=C1
InChIInChI=1S/C6H6F3N/c7-5-3-4(6(8)9)1-2-10-5/h3,6H,1-2H2
InChIKeyYMCMMGMSRDBBNE-UHFFFAOYSA-N
MW149.12 g/mol
LogP1.95
Rot. Bonds1

About 4-(difluoromethyl)-6-fluoro-2,3-dihydropyridine

4-(difluoromethyl)-6-fluoro-2,3-dihydropyridine (PubChem CID 162611855) has the molecular formula C6H6F3N and a molecular weight of 149.12 g/mol. Its IUPAC name is 4-(difluoromethyl)-6-fluoro-2,3-dihydropyridine.

Molecular Properties

Compound Name4-(difluoromethyl)-6-fluoro-2,3-dihydropyridine
PubChem CID162611855
Molecular FormulaC6H6F3N
Molecular Weight149.12 g/mol
Exact Mass149.05
IUPAC Name4-(difluoromethyl)-6-fluoro-2,3-dihydropyridine
SMILESFC1=NCCC(C(F)F)=C1
InChIInChI=1S/C6H6F3N/c7-5-3-4(6(8)9)1-2-10-5/h3,6H,1-2H2
InChIKeyYMCMMGMSRDBBNE-UHFFFAOYSA-N
XLogP1.95
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.12
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-(difluoromethyl)-6-fluoro-2,3-dihydropyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(trifluoromethyl)-3H-pyridin-1-ium
CID 57085904
5-(trifluoromethyl)-3H-pyridin-1-ium
CID 57189778
5-(Trifluoromethyl)-2,3-dihydropyridine
CID 68374416
2,3-difluoro-3-(trifluoromethyl)-2H-pyridine
CID 88634232
2-Fluoro-4-methyl-2,3-dihydropyridine
CID 90817887
4-(Trifluoromethyl)-2,5-dihydropyridine
CID 91046941
4-Methyl-6-(trifluoromethyl)-2,3-dihydropyridine
CID 123506679
6-Fluoro-5-(trifluoromethyl)-2,3-dihydropyridine
CID 123936766
2,6-Difluoro-2,3-dihydropyridine
CID 134567908
4-(Trifluoromethyl)-2,3-dihydropyridine
CID 141152517
4,6-Bis(trifluoromethyl)-2,3-dihydropyridine
CID 141238199
4-Methyl-3-(trifluoromethyl)-2,3-dihydropyridine
CID 142076330

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-6-fluoro-2,3-dihydropyridine?
The IUPAC name of 4-(difluoromethyl)-6-fluoro-2,3-dihydropyridine (CID 162611855) is 4-(difluoromethyl)-6-fluoro-2,3-dihydropyridine.
What is the SMILES notation for 4-(difluoromethyl)-6-fluoro-2,3-dihydropyridine?
The canonical SMILES for 4-(difluoromethyl)-6-fluoro-2,3-dihydropyridine is FC1=NCCC(C(F)F)=C1.
What is the InChIKey of 4-(difluoromethyl)-6-fluoro-2,3-dihydropyridine?
The InChIKey is YMCMMGMSRDBBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N/c7-5-3-4(6(8)9)1-2-10-5/h3,6H,1-2H2.
What are the key properties of 4-(difluoromethyl)-6-fluoro-2,3-dihydropyridine?
4-(difluoromethyl)-6-fluoro-2,3-dihydropyridine has a molecular weight of 149.12 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-6-fluoro-2,3-dihydropyridine is sourced from PubChem (CID 162611855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).