1,4-dimethylpyrazole;fluoromethane;tetrakis(1-(fluoromethyl)-4-methylbenzene);1-fluoro-4-methylpyrazole;2-methylfuran;3-methylfuran;3-methylpyridine;4-methylpyridine;2-methylthiophene;3-methylthiophene

C83H117F15N6O2S2 — CID 158700366

IUPAC1,4-dimethylpyrazole;fluoromethane;tetrakis(1-(fluoromethyl)-4-methylbenzene);1-fluoro-4-methylpyrazole;2-methylfuran;3-methylfuran;3-methylpyridine;4-methylpyridine;2-methylthiophene;3-methylthiophene
SMILESCF.CF.CF.CF.CF.CF.CF.CF.CF.CF.Cc1ccc(CF)cc1.Cc1ccc(CF)cc1.Cc1ccc(CF)cc1.Cc1ccc(CF)cc1.Cc1cccnc1.Cc1ccco1.Cc1cccs1.Cc1ccncc1.Cc1ccoc1.Cc1ccsc1.Cc1cnn(C)c1.Cc1cnn(F)c1
InChIInChI=1S/4C8H9F.2C6H7N.C5H8N2.2C5H6O.2C5H6S.C4H5FN2.10CH3F/c4*1-7-2-4-8(6-9)5-3-7;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-5-3-6-7(2)4-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-4-2-6-7(5)3-4;10*1-2/h4*2-5H,6H2,1H3;2*2-5H,1H3;3-4H,1-2H3;4*2-4H,1H3;2-3H,1H3;10*1H3
InChIKeyIHLVDLTYEKJROU-UHFFFAOYSA-N
MW1579.99 g/mol
LogP27.44
Rot. Bonds4

About 1,4-dimethylpyrazole;fluoromethane;tetrakis(1-(fluoromethyl)-4-methylbenzene);1-fluoro-4-methylpyrazole;2-methylfuran;3-methylfuran;3-methylpyridine;4-methylpyridine;2-methylthiophene;3-methylthiophene

1,4-dimethylpyrazole;fluoromethane;tetrakis(1-(fluoromethyl)-4-methylbenzene);1-fluoro-4-methylpyrazole;2-methylfuran;3-methylfuran;3-methylpyridine;4-methylpyridine;2-methylthiophene;3-methylthiophene (PubChem CID 158700366) has the molecular formula C83H117F15N6O2S2 and a molecular weight of 1579.99 g/mol. Its IUPAC name is 1,4-dimethylpyrazole;fluoromethane;tetrakis(1-(fluoromethyl)-4-methylbenzene);1-fluoro-4-methylpyrazole;2-methylfuran;3-methylfuran;3-methylpyridine;4-methylpyridine;2-methylthiophene;3-methylthiophene.

Molecular Properties

Compound Name1,4-dimethylpyrazole;fluoromethane;tetrakis(1-(fluoromethyl)-4-methylbenzene);1-fluoro-4-methylpyrazole;2-methylfuran;3-methylfuran;3-methylpyridine;4-methylpyridine;2-methylthiophene;3-methylthiophene
PubChem CID158700366
Molecular FormulaC83H117F15N6O2S2
Molecular Weight1579.99 g/mol
Exact Mass1578.84
IUPAC Name1,4-dimethylpyrazole;fluoromethane;tetrakis(1-(fluoromethyl)-4-methylbenzene);1-fluoro-4-methylpyrazole;2-methylfuran;3-methylfuran;3-methylpyridine;4-methylpyridine;2-methylthiophene;3-methylthiophene
SMILESCF.CF.CF.CF.CF.CF.CF.CF.CF.CF.Cc1ccc(CF)cc1.Cc1ccc(CF)cc1.Cc1ccc(CF)cc1.Cc1ccc(CF)cc1.Cc1cccnc1.Cc1ccco1.Cc1cccs1.Cc1ccncc1.Cc1ccoc1.Cc1ccsc1.Cc1cnn(C)c1.Cc1cnn(F)c1
InChIInChI=1S/4C8H9F.2C6H7N.C5H8N2.2C5H6O.2C5H6S.C4H5FN2.10CH3F/c4*1-7-2-4-8(6-9)5-3-7;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-5-3-6-7(2)4-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-4-2-6-7(5)3-4;10*1-2/h4*2-5H,6H2,1H3;2*2-5H,1H3;3-4H,1-2H3;4*2-4H,1H3;2-3H,1H3;10*1H3
InChIKeyIHLVDLTYEKJROU-UHFFFAOYSA-N
XLogP27.44
TPSA87.70 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms108
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001579.99
LogP ≤ 527.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 1,4-dimethylpyrazole;fluoromethane;tetrakis(1-(fluoromethyl)-4-methylbenzene);1-fluoro-4-methylpyrazole;2-methylfuran;3-methylfuran;3-methylpyridine;4-methylpyridine;2-methylthiophene;3-methylthiophene with MolForge

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Related Compounds

1-Tert-butyl-3,5-dimethylpyrazole;2-tert-butylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-3-methylpyridine;1-tert-butylpyrazole;2-tert-butylpyridine;2-tert-butyl-1,3-thiazole
CID 157096905
2,3-Di(propan-2-yl)furan;bis(2,3-di(propan-2-yl)pyridine);bis(3,4-di(propan-2-yl)pyridine);2,3-di(propan-2-yl)thiophene;1-methyl-4,5-di(propan-2-yl)pyrazole
CID 157125478
bis(1-benzyl-4-propan-2-ylpyrazole);1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;ethane;4-ethylmorpholine;1-[(1-fluorocyclopentyl)methyl]-4-propan-2-ylpyrazole;1-(4-methylphenyl)-4-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrazole;pentakis(1-methyl-4-propan-2-ylpyrazole);1-methyl-4-propan-2-yl-3H-pyrazol-1-ium;bis(1-phenyl-4-propan-2-ylpyrazole);2-propan-2-ylfuran;3-propan-2-ylfuran;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;3-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;tris(2-propan-2-ylthiophene)
CID 157640581
1,4-Dimethylpyrazole;fluoromethane;2-methylfuran;3-methylfuran;4-methylmorpholine;(4-methylphenyl)methanol;3-methylpyridine;4-methylpyridine;2-methylthiophene;3-methylthiophene
CID 157766325
1,2-Difluoro-3-methylbenzene;1,3-difluoro-5-methylbenzene;1,3-dimethylpyrazole;2-fluoro-1,4-dimethylbenzene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;2-methoxy-1,4-dimethylbenzene;1-methoxy-2-methylbenzene;1-methoxy-4-methylbenzene;2-methylfuran;2-methylpyridine;3-methylpyridine;2-methyl-1,3-thiazole;toluene;tetrakis(1,4-xylene)
CID 158789426
1,5-Dimethylpyrazole;ethylbenzene;methoxymethylbenzene;2-methylfuran;2-methylthiophene;3-methylthiophene;toluene
CID 158813165
2-Tert-butylaniline;3-tert-butylaniline;4-tert-butylaniline;4-tert-butyl-2-fluoropyridine;2-tert-butylfuran;4-tert-butyl-1-methylpyrazole;2-tert-butylthiophene;3-tert-butylthiophene
CID 159116527
1,4-dimethylcyclohexane;1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;3,5-dimethyl-1H-pyrazole;bis(2,5-dimethylpyridine);2,5-dimethylthiophene;2-methylfuran;1,4-xylene
CID 159275832
2,3-Dimethylfuran;3,4-dimethylfuran;1,5-dimethylpyrazole;2,3-dimethylthiophene;3,4-dimethylthiophene;1,2,3-trimethylpyrrole;1,3,4-trimethylpyrrole
CID 159387911
Anisole;1,5-dimethylpyrazole;ethane;ethylbenzene;methoxymethylbenzene;2-methylfuran;2-methylthiophene;3-methylthiophene;toluene
CID 159476619
4-Tert-butyl-2-fluoropyridine;2-tert-butylfuran;4-tert-butyl-1-methylpyrazole;bis(2-tert-butylthiophene)
CID 159705349
Bis(1-(difluoromethyl)-4-methylbenzene);1,4-dimethylpyrazole;fluoromethane;bis(1-(fluoromethyl)-4-methylbenzene);1-fluoro-4-methylpyrazole;2-methylfuran;3-methylfuran;2-methylthiophene;3-methylthiophene
CID 159779695

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpyrazole;fluoromethane;tetrakis(1-(fluoromethyl)-4-methylbenzene);1-fluoro-4-methylpyrazole;2-methylfuran;3-methylfuran;3-methylpyridine;4-methylpyridine;2-methylthiophene;3-methylthiophene?
The IUPAC name of 1,4-dimethylpyrazole;fluoromethane;tetrakis(1-(fluoromethyl)-4-methylbenzene);1-fluoro-4-methylpyrazole;2-methylfuran;3-methylfuran;3-methylpyridine;4-methylpyridine;2-methylthiophene;3-methylthiophene (CID 158700366) is 1,4-dimethylpyrazole;fluoromethane;tetrakis(1-(fluoromethyl)-4-methylbenzene);1-fluoro-4-methylpyrazole;2-methylfuran;3-methylfuran;3-methylpyridine;4-methylpyridine;2-methylthiophene;3-methylthiophene.
What is the SMILES notation for 1,4-dimethylpyrazole;fluoromethane;tetrakis(1-(fluoromethyl)-4-methylbenzene);1-fluoro-4-methylpyrazole;2-methylfuran;3-methylfuran;3-methylpyridine;4-methylpyridine;2-methylthiophene;3-methylthiophene?
The canonical SMILES for 1,4-dimethylpyrazole;fluoromethane;tetrakis(1-(fluoromethyl)-4-methylbenzene);1-fluoro-4-methylpyrazole;2-methylfuran;3-methylfuran;3-methylpyridine;4-methylpyridine;2-methylthiophene;3-methylthiophene is CF.CF.CF.CF.CF.CF.CF.CF.CF.CF.Cc1ccc(CF)cc1.Cc1ccc(CF)cc1.Cc1ccc(CF)cc1.Cc1ccc(CF)cc1.Cc1cccnc1.Cc1ccco1.Cc1cccs1.Cc1ccncc1.Cc1ccoc1.Cc1ccsc1.Cc1cnn(C)c1.Cc1cnn(F)c1.
What is the InChIKey of 1,4-dimethylpyrazole;fluoromethane;tetrakis(1-(fluoromethyl)-4-methylbenzene);1-fluoro-4-methylpyrazole;2-methylfuran;3-methylfuran;3-methylpyridine;4-methylpyridine;2-methylthiophene;3-methylthiophene?
The InChIKey is IHLVDLTYEKJROU-UHFFFAOYSA-N. The full InChI is InChI=1S/4C8H9F.2C6H7N.C5H8N2.2C5H6O.2C5H6S.C4H5FN2.10CH3F/c4*1-7-2-4-8(6-9)5-3-7;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-5-3-6-7(2)4-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-4-2-6-7(5)3-4;10*1-2/h4*2-5H,6H2,1H3;2*2-5H,1H3;3-4H,1-2H3;4*2-4H,1H3;2-3H,1H3;10*1H3.
What are the key properties of 1,4-dimethylpyrazole;fluoromethane;tetrakis(1-(fluoromethyl)-4-methylbenzene);1-fluoro-4-methylpyrazole;2-methylfuran;3-methylfuran;3-methylpyridine;4-methylpyridine;2-methylthiophene;3-methylthiophene?
1,4-dimethylpyrazole;fluoromethane;tetrakis(1-(fluoromethyl)-4-methylbenzene);1-fluoro-4-methylpyrazole;2-methylfuran;3-methylfuran;3-methylpyridine;4-methylpyridine;2-methylthiophene;3-methylthiophene has a molecular weight of 1579.99 g/mol, XLogP of 27.44, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylpyrazole;fluoromethane;tetrakis(1-(fluoromethyl)-4-methylbenzene);1-fluoro-4-methylpyrazole;2-methylfuran;3-methylfuran;3-methylpyridine;4-methylpyridine;2-methylthiophene;3-methylthiophene is sourced from PubChem (CID 158700366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).