1,2-difluoro-4-methylbenzene;2,4-difluoro-1-methylbenzene;1-fluoro-2,3-dimethylbenzene;1-fluoro-2,4-dimethylbenzene;1-fluoro-4-methylbenzene;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;1-methyl-3-(trifluoromethyl)benzene;toluene;1,3,5-trifluoro-2-methylbenzene

C82H84F13N5 — CID 158469371

IUPAC1,2-difluoro-4-methylbenzene;2,4-difluoro-1-methylbenzene;1-fluoro-2,3-dimethylbenzene;1-fluoro-2,4-dimethylbenzene;1-fluoro-4-methylbenzene;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;1-methyl-3-(trifluoromethyl)benzene;toluene;1,3,5-trifluoro-2-methylbenzene
SMILESCc1c(F)cc(F)cc1F.Cc1ccc(F)c(C)c1.Cc1ccc(F)c(F)c1.Cc1ccc(F)cc1.Cc1ccc(F)cc1F.Cc1cccc(C(F)(F)F)c1.Cc1cccc(F)c1C.Cc1ccccc1.Cc1ccccn1.Cc1cccnc1.Cc1ccncc1.Cc1ncccn1
InChIInChI=1S/C8H7F3.2C8H9F.C7H5F3.2C7H6F2.C7H7F.C7H8.3C6H7N.C5H6N2/c1-6-3-2-4-7(5-6)8(9,10)11;1-6-3-4-8(9)7(2)5-6;1-6-4-3-5-8(9)7(6)2;1-4-6(9)2-5(8)3-7(4)10;1-5-2-3-6(8)4-7(5)9;1-5-2-3-6(8)7(9)4-5;1-6-2-4-7(8)5-3-6;1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-6-3-2-4-7-5/h2-5H,1H3;2*3-5H,1-2H3;2-3H,1H3;2*2-4H,1H3;2-5H,1H3;2-6H,1H3;3*2-5H,1H3;2-4H,1H3
InChIKeyHGDVDMUAVQRFME-UHFFFAOYSA-N
MW1386.58 g/mol
LogP23.94
Rot. Bonds

About 1,2-difluoro-4-methylbenzene;2,4-difluoro-1-methylbenzene;1-fluoro-2,3-dimethylbenzene;1-fluoro-2,4-dimethylbenzene;1-fluoro-4-methylbenzene;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;1-methyl-3-(trifluoromethyl)benzene;toluene;1,3,5-trifluoro-2-methylbenzene

1,2-difluoro-4-methylbenzene;2,4-difluoro-1-methylbenzene;1-fluoro-2,3-dimethylbenzene;1-fluoro-2,4-dimethylbenzene;1-fluoro-4-methylbenzene;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;1-methyl-3-(trifluoromethyl)benzene;toluene;1,3,5-trifluoro-2-methylbenzene (PubChem CID 158469371) has the molecular formula C82H84F13N5 and a molecular weight of 1386.58 g/mol. Its IUPAC name is 1,2-difluoro-4-methylbenzene;2,4-difluoro-1-methylbenzene;1-fluoro-2,3-dimethylbenzene;1-fluoro-2,4-dimethylbenzene;1-fluoro-4-methylbenzene;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;1-methyl-3-(trifluoromethyl)benzene;toluene;1,3,5-trifluoro-2-methylbenzene.

Molecular Properties

Compound Name1,2-difluoro-4-methylbenzene;2,4-difluoro-1-methylbenzene;1-fluoro-2,3-dimethylbenzene;1-fluoro-2,4-dimethylbenzene;1-fluoro-4-methylbenzene;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;1-methyl-3-(trifluoromethyl)benzene;toluene;1,3,5-trifluoro-2-methylbenzene
PubChem CID158469371
Molecular FormulaC82H84F13N5
Molecular Weight1386.58 g/mol
Exact Mass1385.65
IUPAC Name1,2-difluoro-4-methylbenzene;2,4-difluoro-1-methylbenzene;1-fluoro-2,3-dimethylbenzene;1-fluoro-2,4-dimethylbenzene;1-fluoro-4-methylbenzene;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;1-methyl-3-(trifluoromethyl)benzene;toluene;1,3,5-trifluoro-2-methylbenzene
SMILESCc1c(F)cc(F)cc1F.Cc1ccc(F)c(C)c1.Cc1ccc(F)c(F)c1.Cc1ccc(F)cc1.Cc1ccc(F)cc1F.Cc1cccc(C(F)(F)F)c1.Cc1cccc(F)c1C.Cc1ccccc1.Cc1ccccn1.Cc1cccnc1.Cc1ccncc1.Cc1ncccn1
InChIInChI=1S/C8H7F3.2C8H9F.C7H5F3.2C7H6F2.C7H7F.C7H8.3C6H7N.C5H6N2/c1-6-3-2-4-7(5-6)8(9,10)11;1-6-3-4-8(9)7(2)5-6;1-6-4-3-5-8(9)7(6)2;1-4-6(9)2-5(8)3-7(4)10;1-5-2-3-6(8)4-7(5)9;1-5-2-3-6(8)7(9)4-5;1-6-2-4-7(8)5-3-6;1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-6-3-2-4-7-5/h2-5H,1H3;2*3-5H,1-2H3;2-3H,1H3;2*2-4H,1H3;2-5H,1H3;2-6H,1H3;3*2-5H,1H3;2-4H,1H3
InChIKeyHGDVDMUAVQRFME-UHFFFAOYSA-N
XLogP23.94
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms100
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001386.58
LogP ≤ 523.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1,2-difluoro-4-methylbenzene;2,4-difluoro-1-methylbenzene;1-fluoro-2,3-dimethylbenzene;1-fluoro-2,4-dimethylbenzene;1-fluoro-4-methylbenzene;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;1-methyl-3-(trifluoromethyl)benzene;toluene;1,3,5-trifluoro-2-methylbenzene with MolForge

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Related Compounds

Azd-3839
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(3S)-7-fluoro-3-pyridin-4-yl-3-(3-pyrimidin-5-ylphenyl)isoindol-1-amine
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6-Methyl-N5-(3-(pyrimidin-4-yl)pyridin-2-yl)-N1-(3-(trifluoromethyl)phenyl)isoquinoline-1,5-diamine
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(1S)-4-fluoro-1-(4-fluoro-3-pyrimidin-5-ylphenyl)-1-[2-(trifluoromethyl)pyridin-4-yl]-1H-isoindol-3-amine
CID 46206292
4,6-Dimethyl-N'-(3-Pyridin-2-Ylisoquinolin-1-Yl)pyrimidine-2-Carboximidamide
CID 44363627
1-(2-Cyclopropylpyridin-4-yl)-4-fluoro-1-(3-(pyrimidin-5-yl)phenyl)-1H-isoindol-3-amine
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4-Fluoro-1-(pyridin-4-yl)-1-(3-(pyrimidin-5-yl)phenyl)-1H-isoindol-3-amine
CID 46205967
4-Fluoro-1-(4-fluoro-3-(pyrimidin-5-yl)phenyl)-1-(2-(trifluoromethyl)pyridin-4-yl)-1H-isoindol-3-amine
CID 46206291
4-Fluoro-1-(3-(pyrimidin-5-yl)phenyl)-1-(2-(trifluoromethyl)pyridin-4-yl)-1H-isoindol-3-amine
CID 46206642
1-(2,6-Dimethylpyridin-4-yl)-4-fluoro-1-(3-(pyrimidin-5-yl)phenyl)-1H-isoindol-3-amine
CID 46206643
5-methyl-2-(2-propan-2-ylphenyl)-N-[[4-[2-(trifluoromethyl)-4-pyridinyl]phenyl]methyl]pyrimidin-4-amine
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Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-4-methylbenzene;2,4-difluoro-1-methylbenzene;1-fluoro-2,3-dimethylbenzene;1-fluoro-2,4-dimethylbenzene;1-fluoro-4-methylbenzene;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;1-methyl-3-(trifluoromethyl)benzene;toluene;1,3,5-trifluoro-2-methylbenzene?
The IUPAC name of 1,2-difluoro-4-methylbenzene;2,4-difluoro-1-methylbenzene;1-fluoro-2,3-dimethylbenzene;1-fluoro-2,4-dimethylbenzene;1-fluoro-4-methylbenzene;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;1-methyl-3-(trifluoromethyl)benzene;toluene;1,3,5-trifluoro-2-methylbenzene (CID 158469371) is 1,2-difluoro-4-methylbenzene;2,4-difluoro-1-methylbenzene;1-fluoro-2,3-dimethylbenzene;1-fluoro-2,4-dimethylbenzene;1-fluoro-4-methylbenzene;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;1-methyl-3-(trifluoromethyl)benzene;toluene;1,3,5-trifluoro-2-methylbenzene.
What is the SMILES notation for 1,2-difluoro-4-methylbenzene;2,4-difluoro-1-methylbenzene;1-fluoro-2,3-dimethylbenzene;1-fluoro-2,4-dimethylbenzene;1-fluoro-4-methylbenzene;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;1-methyl-3-(trifluoromethyl)benzene;toluene;1,3,5-trifluoro-2-methylbenzene?
The canonical SMILES for 1,2-difluoro-4-methylbenzene;2,4-difluoro-1-methylbenzene;1-fluoro-2,3-dimethylbenzene;1-fluoro-2,4-dimethylbenzene;1-fluoro-4-methylbenzene;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;1-methyl-3-(trifluoromethyl)benzene;toluene;1,3,5-trifluoro-2-methylbenzene is Cc1c(F)cc(F)cc1F.Cc1ccc(F)c(C)c1.Cc1ccc(F)c(F)c1.Cc1ccc(F)cc1.Cc1ccc(F)cc1F.Cc1cccc(C(F)(F)F)c1.Cc1cccc(F)c1C.Cc1ccccc1.Cc1ccccn1.Cc1cccnc1.Cc1ccncc1.Cc1ncccn1.
What is the InChIKey of 1,2-difluoro-4-methylbenzene;2,4-difluoro-1-methylbenzene;1-fluoro-2,3-dimethylbenzene;1-fluoro-2,4-dimethylbenzene;1-fluoro-4-methylbenzene;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;1-methyl-3-(trifluoromethyl)benzene;toluene;1,3,5-trifluoro-2-methylbenzene?
The InChIKey is HGDVDMUAVQRFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3.2C8H9F.C7H5F3.2C7H6F2.C7H7F.C7H8.3C6H7N.C5H6N2/c1-6-3-2-4-7(5-6)8(9,10)11;1-6-3-4-8(9)7(2)5-6;1-6-4-3-5-8(9)7(6)2;1-4-6(9)2-5(8)3-7(4)10;1-5-2-3-6(8)4-7(5)9;1-5-2-3-6(8)7(9)4-5;1-6-2-4-7(8)5-3-6;1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-6-3-2-4-7-5/h2-5H,1H3;2*3-5H,1-2H3;2-3H,1H3;2*2-4H,1H3;2-5H,1H3;2-6H,1H3;3*2-5H,1H3;2-4H,1H3.
What are the key properties of 1,2-difluoro-4-methylbenzene;2,4-difluoro-1-methylbenzene;1-fluoro-2,3-dimethylbenzene;1-fluoro-2,4-dimethylbenzene;1-fluoro-4-methylbenzene;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;1-methyl-3-(trifluoromethyl)benzene;toluene;1,3,5-trifluoro-2-methylbenzene?
1,2-difluoro-4-methylbenzene;2,4-difluoro-1-methylbenzene;1-fluoro-2,3-dimethylbenzene;1-fluoro-2,4-dimethylbenzene;1-fluoro-4-methylbenzene;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;1-methyl-3-(trifluoromethyl)benzene;toluene;1,3,5-trifluoro-2-methylbenzene has a molecular weight of 1386.58 g/mol, XLogP of 23.94, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-4-methylbenzene;2,4-difluoro-1-methylbenzene;1-fluoro-2,3-dimethylbenzene;1-fluoro-2,4-dimethylbenzene;1-fluoro-4-methylbenzene;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;1-methyl-3-(trifluoromethyl)benzene;toluene;1,3,5-trifluoro-2-methylbenzene is sourced from PubChem (CID 158469371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).