1-ethyl-2,3-difluorobenzene;1-ethyl-2,4-difluorobenzene;1-ethyl-3,5-difluorobenzene;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

C85H83F21N6O2 — CID 158369850

IUPAC1-ethyl-2,3-difluorobenzene;1-ethyl-2,4-difluorobenzene;1-ethyl-3,5-difluorobenzene;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
SMILESCCc1cc(F)cc(F)c1.CCc1cc(F)ccc1F.CCc1ccc(C(F)(F)F)cc1.CCc1ccc(F)cc1F.CCc1cccc(C(F)(F)F)c1.CCc1cccc(F)c1F.CCc1ccccc1C(F)(F)F.Cc1ccc(C#N)nc1.Cc1ccc(C(F)(F)F)nc1.Cc1ccc(F)nc1.Cc1ccc([N+](=O)[O-])nc1
InChIInChI=1S/3C9H9F3.4C8H8F2.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;1-2-6-3-7(9)5-8(10)4-6;1-2-6-5-7(9)3-4-8(6)10;1-2-6-3-4-7(9)5-8(6)10;1-2-6-4-3-5-7(9)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;4*3-5H,2H2,1H3;2-4H,1H3;2-3,5H,1H3;2-4H,1H3;2-4H,1H3
InChIKeyGULZPCDAAQIUCH-UHFFFAOYSA-N
MW1619.60 g/mol
LogP26.41
Rot. Bonds8

About 1-ethyl-2,3-difluorobenzene;1-ethyl-2,4-difluorobenzene;1-ethyl-3,5-difluorobenzene;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

1-ethyl-2,3-difluorobenzene;1-ethyl-2,4-difluorobenzene;1-ethyl-3,5-difluorobenzene;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 158369850) has the molecular formula C85H83F21N6O2 and a molecular weight of 1619.60 g/mol. Its IUPAC name is 1-ethyl-2,3-difluorobenzene;1-ethyl-2,4-difluorobenzene;1-ethyl-3,5-difluorobenzene;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 Name1-ethyl-2,3-difluorobenzene;1-ethyl-2,4-difluorobenzene;1-ethyl-3,5-difluorobenzene;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 CID158369850
Molecular FormulaC85H83F21N6O2
Molecular Weight1619.60 g/mol
Exact Mass1618.62
IUPAC Name1-ethyl-2,3-difluorobenzene;1-ethyl-2,4-difluorobenzene;1-ethyl-3,5-difluorobenzene;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
SMILESCCc1cc(F)cc(F)c1.CCc1cc(F)ccc1F.CCc1ccc(C(F)(F)F)cc1.CCc1ccc(F)cc1F.CCc1cccc(C(F)(F)F)c1.CCc1cccc(F)c1F.CCc1ccccc1C(F)(F)F.Cc1ccc(C#N)nc1.Cc1ccc(C(F)(F)F)nc1.Cc1ccc(F)nc1.Cc1ccc([N+](=O)[O-])nc1
InChIInChI=1S/3C9H9F3.4C8H8F2.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;1-2-6-3-7(9)5-8(10)4-6;1-2-6-5-7(9)3-4-8(6)10;1-2-6-3-4-7(9)5-8(6)10;1-2-6-4-3-5-7(9)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;4*3-5H,2H2,1H3;2-4H,1H3;2-3,5H,1H3;2-4H,1H3;2-4H,1H3
InChIKeyGULZPCDAAQIUCH-UHFFFAOYSA-N
XLogP26.41
TPSA118.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms114
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001619.60
LogP ≤ 526.41
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 1-ethyl-2,3-difluorobenzene;1-ethyl-2,4-difluorobenzene;1-ethyl-3,5-difluorobenzene;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 1-ethyl-2,3-difluorobenzene;1-ethyl-2,4-difluorobenzene;1-ethyl-3,5-difluorobenzene;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 1-ethyl-2,3-difluorobenzene;1-ethyl-2,4-difluorobenzene;1-ethyl-3,5-difluorobenzene;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 158369850) is 1-ethyl-2,3-difluorobenzene;1-ethyl-2,4-difluorobenzene;1-ethyl-3,5-difluorobenzene;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 1-ethyl-2,3-difluorobenzene;1-ethyl-2,4-difluorobenzene;1-ethyl-3,5-difluorobenzene;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 1-ethyl-2,3-difluorobenzene;1-ethyl-2,4-difluorobenzene;1-ethyl-3,5-difluorobenzene;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)cc(F)c1.CCc1cc(F)ccc1F.CCc1ccc(C(F)(F)F)cc1.CCc1ccc(F)cc1F.CCc1cccc(C(F)(F)F)c1.CCc1cccc(F)c1F.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 1-ethyl-2,3-difluorobenzene;1-ethyl-2,4-difluorobenzene;1-ethyl-3,5-difluorobenzene;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 GULZPCDAAQIUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/3C9H9F3.4C8H8F2.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;1-2-6-3-7(9)5-8(10)4-6;1-2-6-5-7(9)3-4-8(6)10;1-2-6-3-4-7(9)5-8(6)10;1-2-6-4-3-5-7(9)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;4*3-5H,2H2,1H3;2-4H,1H3;2-3,5H,1H3;2-4H,1H3;2-4H,1H3.
What are the key properties of 1-ethyl-2,3-difluorobenzene;1-ethyl-2,4-difluorobenzene;1-ethyl-3,5-difluorobenzene;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?
1-ethyl-2,3-difluorobenzene;1-ethyl-2,4-difluorobenzene;1-ethyl-3,5-difluorobenzene;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 1619.60 g/mol, XLogP of 26.41, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,3-difluorobenzene;1-ethyl-2,4-difluorobenzene;1-ethyl-3,5-difluorobenzene;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 158369850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).