2-ethyl-1,4-difluorobenzene;1-ethyl-2-(trifluoromethyl)benzene;1-ethyl-3-(trifluoromethyl)benzene;1-ethyl-4-(trifluoromethyl)benzene;2-fluoro-5-methylpyridine;5-methyl-2-nitropyridine;5-methylpyridine-2-carbonitrile;5-methyl-2-(trifluoromethyl)pyridine

C61H59F15N6O2 — CID 160631586

IUPAC2-ethyl-1,4-difluorobenzene;1-ethyl-2-(trifluoromethyl)benzene;1-ethyl-3-(trifluoromethyl)benzene;1-ethyl-4-(trifluoromethyl)benzene;2-fluoro-5-methylpyridine;5-methyl-2-nitropyridine;5-methylpyridine-2-carbonitrile;5-methyl-2-(trifluoromethyl)pyridine
SMILESCCc1cc(F)ccc1F.CCc1ccc(C(F)(F)F)cc1.CCc1cccc(C(F)(F)F)c1.CCc1ccccc1C(F)(F)F.Cc1ccc(C#N)nc1.Cc1ccc(C(F)(F)F)nc1.Cc1ccc(F)nc1.Cc1ccc([N+](=O)[O-])nc1
InChIInChI=1S/3C9H9F3.C8H8F2.C7H6F3N.C7H6N2.C6H6FN.C6H6N2O2/c1-2-7-3-5-8(6-4-7)9(10,11)12;1-2-7-4-3-5-8(6-7)9(10,11)12;1-2-7-5-3-4-6-8(7)9(10,11)12;1-2-6-5-7(9)3-4-8(6)10;1-5-2-3-6(11-4-5)7(8,9)10;1-6-2-3-7(4-8)9-5-6;1-5-2-3-6(7)8-4-5;1-5-2-3-6(7-4-5)8(9)10/h3*3-6H,2H2,1H3;3-5H,2H2,1H3;2-4H,1H3;2-3,5H,1H3;2-4H,1H3;2-4H,1H3
InChIKeyRHZJIFPHMSYYSZ-UHFFFAOYSA-N
MW1193.15 g/mol
LogP18.83
Rot. Bonds5

About 2-ethyl-1,4-difluorobenzene;1-ethyl-2-(trifluoromethyl)benzene;1-ethyl-3-(trifluoromethyl)benzene;1-ethyl-4-(trifluoromethyl)benzene;2-fluoro-5-methylpyridine;5-methyl-2-nitropyridine;5-methylpyridine-2-carbonitrile;5-methyl-2-(trifluoromethyl)pyridine

2-ethyl-1,4-difluorobenzene;1-ethyl-2-(trifluoromethyl)benzene;1-ethyl-3-(trifluoromethyl)benzene;1-ethyl-4-(trifluoromethyl)benzene;2-fluoro-5-methylpyridine;5-methyl-2-nitropyridine;5-methylpyridine-2-carbonitrile;5-methyl-2-(trifluoromethyl)pyridine (PubChem CID 160631586) has the molecular formula C61H59F15N6O2 and a molecular weight of 1193.15 g/mol. Its IUPAC name is 2-ethyl-1,4-difluorobenzene;1-ethyl-2-(trifluoromethyl)benzene;1-ethyl-3-(trifluoromethyl)benzene;1-ethyl-4-(trifluoromethyl)benzene;2-fluoro-5-methylpyridine;5-methyl-2-nitropyridine;5-methylpyridine-2-carbonitrile;5-methyl-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-ethyl-1,4-difluorobenzene;1-ethyl-2-(trifluoromethyl)benzene;1-ethyl-3-(trifluoromethyl)benzene;1-ethyl-4-(trifluoromethyl)benzene;2-fluoro-5-methylpyridine;5-methyl-2-nitropyridine;5-methylpyridine-2-carbonitrile;5-methyl-2-(trifluoromethyl)pyridine
PubChem CID160631586
Molecular FormulaC61H59F15N6O2
Molecular Weight1193.15 g/mol
Exact Mass1192.45
IUPAC Name2-ethyl-1,4-difluorobenzene;1-ethyl-2-(trifluoromethyl)benzene;1-ethyl-3-(trifluoromethyl)benzene;1-ethyl-4-(trifluoromethyl)benzene;2-fluoro-5-methylpyridine;5-methyl-2-nitropyridine;5-methylpyridine-2-carbonitrile;5-methyl-2-(trifluoromethyl)pyridine
SMILESCCc1cc(F)ccc1F.CCc1ccc(C(F)(F)F)cc1.CCc1cccc(C(F)(F)F)c1.CCc1ccccc1C(F)(F)F.Cc1ccc(C#N)nc1.Cc1ccc(C(F)(F)F)nc1.Cc1ccc(F)nc1.Cc1ccc([N+](=O)[O-])nc1
InChIInChI=1S/3C9H9F3.C8H8F2.C7H6F3N.C7H6N2.C6H6FN.C6H6N2O2/c1-2-7-3-5-8(6-4-7)9(10,11)12;1-2-7-4-3-5-8(6-7)9(10,11)12;1-2-7-5-3-4-6-8(7)9(10,11)12;1-2-6-5-7(9)3-4-8(6)10;1-5-2-3-6(11-4-5)7(8,9)10;1-6-2-3-7(4-8)9-5-6;1-5-2-3-6(7)8-4-5;1-5-2-3-6(7-4-5)8(9)10/h3*3-6H,2H2,1H3;3-5H,2H2,1H3;2-4H,1H3;2-3,5H,1H3;2-4H,1H3;2-4H,1H3
InChIKeyRHZJIFPHMSYYSZ-UHFFFAOYSA-N
XLogP18.83
TPSA118.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001193.15
LogP ≤ 518.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-ethyl-1,4-difluorobenzene;1-ethyl-2-(trifluoromethyl)benzene;1-ethyl-3-(trifluoromethyl)benzene;1-ethyl-4-(trifluoromethyl)benzene;2-fluoro-5-methylpyridine;5-methyl-2-nitropyridine;5-methylpyridine-2-carbonitrile;5-methyl-2-(trifluoromethyl)pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,4-difluorobenzene;1-ethyl-2-(trifluoromethyl)benzene;1-ethyl-3-(trifluoromethyl)benzene;1-ethyl-4-(trifluoromethyl)benzene;2-fluoro-5-methylpyridine;5-methyl-2-nitropyridine;5-methylpyridine-2-carbonitrile;5-methyl-2-(trifluoromethyl)pyridine?
The IUPAC name of 2-ethyl-1,4-difluorobenzene;1-ethyl-2-(trifluoromethyl)benzene;1-ethyl-3-(trifluoromethyl)benzene;1-ethyl-4-(trifluoromethyl)benzene;2-fluoro-5-methylpyridine;5-methyl-2-nitropyridine;5-methylpyridine-2-carbonitrile;5-methyl-2-(trifluoromethyl)pyridine (CID 160631586) is 2-ethyl-1,4-difluorobenzene;1-ethyl-2-(trifluoromethyl)benzene;1-ethyl-3-(trifluoromethyl)benzene;1-ethyl-4-(trifluoromethyl)benzene;2-fluoro-5-methylpyridine;5-methyl-2-nitropyridine;5-methylpyridine-2-carbonitrile;5-methyl-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-ethyl-1,4-difluorobenzene;1-ethyl-2-(trifluoromethyl)benzene;1-ethyl-3-(trifluoromethyl)benzene;1-ethyl-4-(trifluoromethyl)benzene;2-fluoro-5-methylpyridine;5-methyl-2-nitropyridine;5-methylpyridine-2-carbonitrile;5-methyl-2-(trifluoromethyl)pyridine?
The canonical SMILES for 2-ethyl-1,4-difluorobenzene;1-ethyl-2-(trifluoromethyl)benzene;1-ethyl-3-(trifluoromethyl)benzene;1-ethyl-4-(trifluoromethyl)benzene;2-fluoro-5-methylpyridine;5-methyl-2-nitropyridine;5-methylpyridine-2-carbonitrile;5-methyl-2-(trifluoromethyl)pyridine is CCc1cc(F)ccc1F.CCc1ccc(C(F)(F)F)cc1.CCc1cccc(C(F)(F)F)c1.CCc1ccccc1C(F)(F)F.Cc1ccc(C#N)nc1.Cc1ccc(C(F)(F)F)nc1.Cc1ccc(F)nc1.Cc1ccc([N+](=O)[O-])nc1.
What is the InChIKey of 2-ethyl-1,4-difluorobenzene;1-ethyl-2-(trifluoromethyl)benzene;1-ethyl-3-(trifluoromethyl)benzene;1-ethyl-4-(trifluoromethyl)benzene;2-fluoro-5-methylpyridine;5-methyl-2-nitropyridine;5-methylpyridine-2-carbonitrile;5-methyl-2-(trifluoromethyl)pyridine?
The InChIKey is RHZJIFPHMSYYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C9H9F3.C8H8F2.C7H6F3N.C7H6N2.C6H6FN.C6H6N2O2/c1-2-7-3-5-8(6-4-7)9(10,11)12;1-2-7-4-3-5-8(6-7)9(10,11)12;1-2-7-5-3-4-6-8(7)9(10,11)12;1-2-6-5-7(9)3-4-8(6)10;1-5-2-3-6(11-4-5)7(8,9)10;1-6-2-3-7(4-8)9-5-6;1-5-2-3-6(7)8-4-5;1-5-2-3-6(7-4-5)8(9)10/h3*3-6H,2H2,1H3;3-5H,2H2,1H3;2-4H,1H3;2-3,5H,1H3;2-4H,1H3;2-4H,1H3.
What are the key properties of 2-ethyl-1,4-difluorobenzene;1-ethyl-2-(trifluoromethyl)benzene;1-ethyl-3-(trifluoromethyl)benzene;1-ethyl-4-(trifluoromethyl)benzene;2-fluoro-5-methylpyridine;5-methyl-2-nitropyridine;5-methylpyridine-2-carbonitrile;5-methyl-2-(trifluoromethyl)pyridine?
2-ethyl-1,4-difluorobenzene;1-ethyl-2-(trifluoromethyl)benzene;1-ethyl-3-(trifluoromethyl)benzene;1-ethyl-4-(trifluoromethyl)benzene;2-fluoro-5-methylpyridine;5-methyl-2-nitropyridine;5-methylpyridine-2-carbonitrile;5-methyl-2-(trifluoromethyl)pyridine has a molecular weight of 1193.15 g/mol, XLogP of 18.83, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,4-difluorobenzene;1-ethyl-2-(trifluoromethyl)benzene;1-ethyl-3-(trifluoromethyl)benzene;1-ethyl-4-(trifluoromethyl)benzene;2-fluoro-5-methylpyridine;5-methyl-2-nitropyridine;5-methylpyridine-2-carbonitrile;5-methyl-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 160631586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).