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

C69H95F15N4O2S2 — CID 159779695

IUPACbis(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
SMILESCF.CF.CF.CF.CF.CF.CF.CF.Cc1ccc(C(F)F)cc1.Cc1ccc(C(F)F)cc1.Cc1ccc(CF)cc1.Cc1ccc(CF)cc1.Cc1ccco1.Cc1cccs1.Cc1ccoc1.Cc1ccsc1.Cc1cnn(C)c1.Cc1cnn(F)c1
InChIInChI=1S/2C8H8F2.2C8H9F.C5H8N2.2C5H6O.2C5H6S.C4H5FN2.8CH3F/c2*1-6-2-4-7(5-3-6)8(9)10;2*1-7-2-4-8(6-9)5-3-7;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;8*1-2/h2*2-5,8H,1H3;2*2-5H,6H2,1H3;3-4H,1-2H3;4*2-4H,1H3;2-3H,1H3;8*1H3
InChIKeyNHESLZFKJQNCGU-UHFFFAOYSA-N
MW1361.65 g/mol
LogP24.42
Rot. Bonds4

About 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

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 (PubChem CID 159779695) has the molecular formula C69H95F15N4O2S2 and a molecular weight of 1361.65 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namebis(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
PubChem CID159779695
Molecular FormulaC69H95F15N4O2S2
Molecular Weight1361.65 g/mol
Exact Mass1360.67
IUPAC Namebis(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
SMILESCF.CF.CF.CF.CF.CF.CF.CF.Cc1ccc(C(F)F)cc1.Cc1ccc(C(F)F)cc1.Cc1ccc(CF)cc1.Cc1ccc(CF)cc1.Cc1ccco1.Cc1cccs1.Cc1ccoc1.Cc1ccsc1.Cc1cnn(C)c1.Cc1cnn(F)c1
InChIInChI=1S/2C8H8F2.2C8H9F.C5H8N2.2C5H6O.2C5H6S.C4H5FN2.8CH3F/c2*1-6-2-4-7(5-3-6)8(9)10;2*1-7-2-4-8(6-9)5-3-7;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;8*1-2/h2*2-5,8H,1H3;2*2-5H,6H2,1H3;3-4H,1-2H3;4*2-4H,1H3;2-3H,1H3;8*1H3
InChIKeyNHESLZFKJQNCGU-UHFFFAOYSA-N
XLogP24.42
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001361.65
LogP ≤ 524.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

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
1,5-Dimethylpyrazole;ethylbenzene;methoxymethylbenzene;2-methylfuran;2-methylthiophene;3-methylthiophene;toluene
CID 158813165
Anisole;1,5-dimethylpyrazole;ethane;ethylbenzene;methoxymethylbenzene;2-methylfuran;2-methylthiophene;3-methylthiophene;toluene
CID 159476619
1,5-Dimethylpyrazole;ethane;ethylbenzene;methoxymethylbenzene;2-methylfuran;2-methylthiophene;3-methylthiophene;toluene
CID 160185606
1,4-Dimethylpyrazole;fluoromethane;tris(1-(fluoromethyl)-4-methylbenzene);1-fluoro-4-methylpyrazole;2-methylfuran;3-methylfuran;2-methylthiophene;3-methylthiophene
CID 160493076
1,4-Dimethylpyrazole;fluoromethane;bis(1-(fluoromethyl)-4-methylbenzene);1-fluoro-4-methylpyrazole;2-methylfuran;3-methylfuran;3-methylpyridine;4-methylpyridine;2-methylthiophene;3-methylthiophene
CID 161890115

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CF.CF.CF.CF.CF.CF.CF.CF.Cc1ccc(C(F)F)cc1.Cc1ccc(C(F)F)cc1.Cc1ccc(CF)cc1.Cc1ccc(CF)cc1.Cc1ccco1.Cc1cccs1.Cc1ccoc1.Cc1ccsc1.Cc1cnn(C)c1.Cc1cnn(F)c1.
What is the InChIKey of 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?
The InChIKey is NHESLZFKJQNCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H8F2.2C8H9F.C5H8N2.2C5H6O.2C5H6S.C4H5FN2.8CH3F/c2*1-6-2-4-7(5-3-6)8(9)10;2*1-7-2-4-8(6-9)5-3-7;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;8*1-2/h2*2-5,8H,1H3;2*2-5H,6H2,1H3;3-4H,1-2H3;4*2-4H,1H3;2-3H,1H3;8*1H3.
What are the key properties of 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?
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 has a molecular weight of 1361.65 g/mol, XLogP of 24.42, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159779695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).