6-(1,1-difluoroethyl)-5-ethyl-4-fluoro-2-methyl-2,3-dihydropyridine

C10H14F3N — CID 123923241

IUPAC6-(1,1-difluoroethyl)-5-ethyl-4-fluoro-2-methyl-2,3-dihydropyridine
SMILESCCC1=C(F)CC(C)N=C1C(C)(F)F
InChIInChI=1S/C10H14F3N/c1-4-7-8(11)5-6(2)14-9(7)10(3,12)13/h6H,4-5H2,1-3H3
InChIKeyUSXXODUDNITOJI-UHFFFAOYSA-N
MW205.22 g/mol
LogP3.51
Rot. Bonds2

About 6-(1,1-difluoroethyl)-5-ethyl-4-fluoro-2-methyl-2,3-dihydropyridine

6-(1,1-difluoroethyl)-5-ethyl-4-fluoro-2-methyl-2,3-dihydropyridine (PubChem CID 123923241) has the molecular formula C10H14F3N and a molecular weight of 205.22 g/mol. Its IUPAC name is 6-(1,1-difluoroethyl)-5-ethyl-4-fluoro-2-methyl-2,3-dihydropyridine.

Molecular Properties

Compound Name6-(1,1-difluoroethyl)-5-ethyl-4-fluoro-2-methyl-2,3-dihydropyridine
PubChem CID123923241
Molecular FormulaC10H14F3N
Molecular Weight205.22 g/mol
Exact Mass205.11
IUPAC Name6-(1,1-difluoroethyl)-5-ethyl-4-fluoro-2-methyl-2,3-dihydropyridine
SMILESCCC1=C(F)CC(C)N=C1C(C)(F)F
InChIInChI=1S/C10H14F3N/c1-4-7-8(11)5-6(2)14-9(7)10(3,12)13/h6H,4-5H2,1-3H3
InChIKeyUSXXODUDNITOJI-UHFFFAOYSA-N
XLogP3.51
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-N,4-diethyl-5-fluorohex-4-en-3-imine
CID 89330768
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
4-fluoro-6-[(Z)-1-fluorobut-1-enyl]-5-methyl-2-propyl-2,3-dihydropyridine
CID 123180150
3,4-difluoro-N,2-dimethylcyclohex-2-en-1-imine
CID 123476549
6-(1,1-Difluoropropyl)-4-fluoro-2-methyl-5-propan-2-yl-2,3-dihydropyridine
CID 123753518
4-Methyl-2-propyl-6-(trifluoromethyl)-2,3-dihydropyridine
CID 123942790
5-(1,1-Difluoroethyl)-2-propyl-2,3-dihydropyridine
CID 135197188
6-(Difluoromethyl)-4-fluoro-2,5-dimethyl-2,3-dihydropyridine
CID 139526386
(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

Frequently Asked Questions

What is the IUPAC name of 6-(1,1-difluoroethyl)-5-ethyl-4-fluoro-2-methyl-2,3-dihydropyridine?
The IUPAC name of 6-(1,1-difluoroethyl)-5-ethyl-4-fluoro-2-methyl-2,3-dihydropyridine (CID 123923241) is 6-(1,1-difluoroethyl)-5-ethyl-4-fluoro-2-methyl-2,3-dihydropyridine.
What is the SMILES notation for 6-(1,1-difluoroethyl)-5-ethyl-4-fluoro-2-methyl-2,3-dihydropyridine?
The canonical SMILES for 6-(1,1-difluoroethyl)-5-ethyl-4-fluoro-2-methyl-2,3-dihydropyridine is CCC1=C(F)CC(C)N=C1C(C)(F)F.
What is the InChIKey of 6-(1,1-difluoroethyl)-5-ethyl-4-fluoro-2-methyl-2,3-dihydropyridine?
The InChIKey is USXXODUDNITOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N/c1-4-7-8(11)5-6(2)14-9(7)10(3,12)13/h6H,4-5H2,1-3H3.
What are the key properties of 6-(1,1-difluoroethyl)-5-ethyl-4-fluoro-2-methyl-2,3-dihydropyridine?
6-(1,1-difluoroethyl)-5-ethyl-4-fluoro-2-methyl-2,3-dihydropyridine has a molecular weight of 205.22 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1-difluoroethyl)-5-ethyl-4-fluoro-2-methyl-2,3-dihydropyridine is sourced from PubChem (CID 123923241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).