6-(difluoromethyl)-4-fluoro-2,5-dimethyl-2,3-dihydropyridine

C8H10F3N — CID 139526386

IUPAC6-(difluoromethyl)-4-fluoro-2,5-dimethyl-2,3-dihydropyridine
SMILESCC1=C(F)CC(C)N=C1C(F)F
InChIInChI=1S/C8H10F3N/c1-4-3-6(9)5(2)7(12-4)8(10)11/h4,8H,3H2,1-2H3
InChIKeyQJQSBBIMCFZUSQ-UHFFFAOYSA-N
MW177.17 g/mol
LogP2.73
Rot. Bonds1

About 6-(difluoromethyl)-4-fluoro-2,5-dimethyl-2,3-dihydropyridine

6-(difluoromethyl)-4-fluoro-2,5-dimethyl-2,3-dihydropyridine (PubChem CID 139526386) has the molecular formula C8H10F3N and a molecular weight of 177.17 g/mol. Its IUPAC name is 6-(difluoromethyl)-4-fluoro-2,5-dimethyl-2,3-dihydropyridine.

Molecular Properties

Compound Name6-(difluoromethyl)-4-fluoro-2,5-dimethyl-2,3-dihydropyridine
PubChem CID139526386
Molecular FormulaC8H10F3N
Molecular Weight177.17 g/mol
Exact Mass177.08
IUPAC Name6-(difluoromethyl)-4-fluoro-2,5-dimethyl-2,3-dihydropyridine
SMILESCC1=C(F)CC(C)N=C1C(F)F
InChIInChI=1S/C8H10F3N/c1-4-3-6(9)5(2)7(12-4)8(10)11/h4,8H,3H2,1-2H3
InChIKeyQJQSBBIMCFZUSQ-UHFFFAOYSA-N
XLogP2.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.17
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-N-ethyl-5-fluoro-4-methylhex-4-en-3-imine
CID 89104249
4-Fluoro-5,6-dimethyl-2-propyl-2,3-dihydropyridine
CID 90846019
4-Fluoro-5-methyl-2-propyl-6-(trifluoromethyl)-2,3-dihydropyridine
CID 91406813
6-Ethyl-4-fluoro-5-methyl-2-propyl-2,3-dihydropyridine
CID 91588124
(E)-N-methyl-3-(trifluoromethyl)hex-3-en-2-imine
CID 123199800
3,4-difluoro-N,2-dimethylcyclohex-2-en-1-imine
CID 123476549
6-(1,1-Difluoroethyl)-5-ethyl-4-fluoro-2-methyl-2,3-dihydropyridine
CID 123923241
(E)-3-(1,1-difluoroethyl)-N-ethylpent-3-en-2-imine
CID 123999875
3-fluoro-5-(1-fluoroethyl)-4-methyl-2-propyl-2H-pyrrole
CID 130239092
(Z)-1,1,1,2,2,5-hexafluoro-N-methyl-4-(trifluoromethyl)hept-4-en-3-imine
CID 142438884
(E)-N-ethyl-1,1,1,4-tetrafluoro-3-methylpent-3-en-2-imine
CID 142448493
(E)-5,5,5-trifluoro-N,3,4-trimethylpent-3-en-2-imine
CID 145644306

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-4-fluoro-2,5-dimethyl-2,3-dihydropyridine?
The IUPAC name of 6-(difluoromethyl)-4-fluoro-2,5-dimethyl-2,3-dihydropyridine (CID 139526386) is 6-(difluoromethyl)-4-fluoro-2,5-dimethyl-2,3-dihydropyridine.
What is the SMILES notation for 6-(difluoromethyl)-4-fluoro-2,5-dimethyl-2,3-dihydropyridine?
The canonical SMILES for 6-(difluoromethyl)-4-fluoro-2,5-dimethyl-2,3-dihydropyridine is CC1=C(F)CC(C)N=C1C(F)F.
What is the InChIKey of 6-(difluoromethyl)-4-fluoro-2,5-dimethyl-2,3-dihydropyridine?
The InChIKey is QJQSBBIMCFZUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N/c1-4-3-6(9)5(2)7(12-4)8(10)11/h4,8H,3H2,1-2H3.
What are the key properties of 6-(difluoromethyl)-4-fluoro-2,5-dimethyl-2,3-dihydropyridine?
6-(difluoromethyl)-4-fluoro-2,5-dimethyl-2,3-dihydropyridine has a molecular weight of 177.17 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-4-fluoro-2,5-dimethyl-2,3-dihydropyridine is sourced from PubChem (CID 139526386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).