1-chloro-2,4-dimethylbenzene;1-(1,1-difluoroethyl)-4-methylbenzene;1,2-difluoro-3-methylbenzene;1-fluoro-2,4-dimethylbenzene;1-fluoro-2-methyl-4-(trifluoromethoxy)benzene;2-methylpyridine;3-methylpyridine;1-methyl-3-(trifluoromethoxy)benzene;toluene;1,4-xylene

C75H79ClF12N2O2 — CID 157262153

IUPAC1-chloro-2,4-dimethylbenzene;1-(1,1-difluoroethyl)-4-methylbenzene;1,2-difluoro-3-methylbenzene;1-fluoro-2,4-dimethylbenzene;1-fluoro-2-methyl-4-(trifluoromethoxy)benzene;2-methylpyridine;3-methylpyridine;1-methyl-3-(trifluoromethoxy)benzene;toluene;1,4-xylene
SMILESCc1cc(OC(F)(F)F)ccc1F.Cc1ccc(C(C)(F)F)cc1.Cc1ccc(C)cc1.Cc1ccc(Cl)c(C)c1.Cc1ccc(F)c(C)c1.Cc1cccc(F)c1F.Cc1cccc(OC(F)(F)F)c1.Cc1ccccc1.Cc1ccccn1.Cc1cccnc1
InChIInChI=1S/C9H10F2.C8H9Cl.C8H6F4O.C8H7F3O.C8H9F.C8H10.C7H6F2.C7H8.2C6H7N/c1-7-3-5-8(6-4-7)9(2,10)11;1-6-3-4-8(9)7(2)5-6;1-5-4-6(2-3-7(5)9)13-8(10,11)12;1-6-3-2-4-7(5-6)12-8(9,10)11;1-6-3-4-8(9)7(2)5-6;1-7-3-5-8(2)6-4-7;1-5-3-2-4-6(8)7(5)9;1-7-5-3-2-4-6-7;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6/h3-6H,1-2H3;3-5H,1-2H3;2-4H,1H3;2-5H,1H3;3-5H,1-2H3;3-6H,1-2H3;2-4H,1H3;2-6H,1H3;2*2-5H,1H3
InChIKeyAXOWHSFXYSHWJN-UHFFFAOYSA-N
MW1303.90 g/mol
LogP23.78
Rot. Bonds3

About 1-chloro-2,4-dimethylbenzene;1-(1,1-difluoroethyl)-4-methylbenzene;1,2-difluoro-3-methylbenzene;1-fluoro-2,4-dimethylbenzene;1-fluoro-2-methyl-4-(trifluoromethoxy)benzene;2-methylpyridine;3-methylpyridine;1-methyl-3-(trifluoromethoxy)benzene;toluene;1,4-xylene

1-chloro-2,4-dimethylbenzene;1-(1,1-difluoroethyl)-4-methylbenzene;1,2-difluoro-3-methylbenzene;1-fluoro-2,4-dimethylbenzene;1-fluoro-2-methyl-4-(trifluoromethoxy)benzene;2-methylpyridine;3-methylpyridine;1-methyl-3-(trifluoromethoxy)benzene;toluene;1,4-xylene (PubChem CID 157262153) has the molecular formula C75H79ClF12N2O2 and a molecular weight of 1303.90 g/mol. Its IUPAC name is 1-chloro-2,4-dimethylbenzene;1-(1,1-difluoroethyl)-4-methylbenzene;1,2-difluoro-3-methylbenzene;1-fluoro-2,4-dimethylbenzene;1-fluoro-2-methyl-4-(trifluoromethoxy)benzene;2-methylpyridine;3-methylpyridine;1-methyl-3-(trifluoromethoxy)benzene;toluene;1,4-xylene.

Molecular Properties

Compound Name1-chloro-2,4-dimethylbenzene;1-(1,1-difluoroethyl)-4-methylbenzene;1,2-difluoro-3-methylbenzene;1-fluoro-2,4-dimethylbenzene;1-fluoro-2-methyl-4-(trifluoromethoxy)benzene;2-methylpyridine;3-methylpyridine;1-methyl-3-(trifluoromethoxy)benzene;toluene;1,4-xylene
PubChem CID157262153
Molecular FormulaC75H79ClF12N2O2
Molecular Weight1303.90 g/mol
Exact Mass1302.56
IUPAC Name1-chloro-2,4-dimethylbenzene;1-(1,1-difluoroethyl)-4-methylbenzene;1,2-difluoro-3-methylbenzene;1-fluoro-2,4-dimethylbenzene;1-fluoro-2-methyl-4-(trifluoromethoxy)benzene;2-methylpyridine;3-methylpyridine;1-methyl-3-(trifluoromethoxy)benzene;toluene;1,4-xylene
SMILESCc1cc(OC(F)(F)F)ccc1F.Cc1ccc(C(C)(F)F)cc1.Cc1ccc(C)cc1.Cc1ccc(Cl)c(C)c1.Cc1ccc(F)c(C)c1.Cc1cccc(F)c1F.Cc1cccc(OC(F)(F)F)c1.Cc1ccccc1.Cc1ccccn1.Cc1cccnc1
InChIInChI=1S/C9H10F2.C8H9Cl.C8H6F4O.C8H7F3O.C8H9F.C8H10.C7H6F2.C7H8.2C6H7N/c1-7-3-5-8(6-4-7)9(2,10)11;1-6-3-4-8(9)7(2)5-6;1-5-4-6(2-3-7(5)9)13-8(10,11)12;1-6-3-2-4-7(5-6)12-8(9,10)11;1-6-3-4-8(9)7(2)5-6;1-7-3-5-8(2)6-4-7;1-5-3-2-4-6(8)7(5)9;1-7-5-3-2-4-6-7;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6/h3-6H,1-2H3;3-5H,1-2H3;2-4H,1H3;2-5H,1H3;3-5H,1-2H3;3-6H,1-2H3;2-4H,1H3;2-6H,1H3;2*2-5H,1H3
InChIKeyAXOWHSFXYSHWJN-UHFFFAOYSA-N
XLogP23.78
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001303.90
LogP ≤ 523.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-chloro-2,4-dimethylbenzene;1-(1,1-difluoroethyl)-4-methylbenzene;1,2-difluoro-3-methylbenzene;1-fluoro-2,4-dimethylbenzene;1-fluoro-2-methyl-4-(trifluoromethoxy)benzene;2-methylpyridine;3-methylpyridine;1-methyl-3-(trifluoromethoxy)benzene;toluene;1,4-xylene with MolForge

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Related Compounds

1-[6-[2-chloro-3-[3-chloro-2-[3-fluoro-5-methoxy-4-(methylaminomethyl)phenyl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]-N-methylmethanamine
CID 170696530
N-[[4-[3-chloro-4-[2-chloro-3-[5-[[(4,4-difluorocyclohexyl)amino]methyl]-6-methoxy-2-pyridinyl]phenyl]-2-pyridinyl]-2-methoxyphenyl]methyl]-4,4-difluorocyclohexan-1-amine
CID 170696583
N-[[4-[3-chloro-4-[2-chloro-3-[5-[(3-fluoropropylamino)methyl]-6-methoxy-2-pyridinyl]phenyl]-2-pyridinyl]-2-methoxyphenyl]methyl]-3-fluoropropan-1-amine
CID 170696715
N-[[4-[3-chloro-4-[2-chloro-3-[5-[[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]methyl]-6-methoxy-2-pyridinyl]phenyl]-2-pyridinyl]-2-methoxyphenyl]methyl]-1-(2,2-difluoroethyl)piperidin-4-amine
CID 170696895
N-[[4-[3-chloro-4-[2-chloro-3-[6-methoxy-5-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]-2-pyridinyl]phenyl]-2-pyridinyl]-2-methoxyphenyl]methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 170697104
N-[[4-[3-chloro-4-[3-[5-[(3-fluoropropylamino)methyl]-6-methoxy-2-pyridinyl]-2-(trifluoromethyl)phenyl]-2-pyridinyl]-2-methoxyphenyl]methyl]-3-fluoropropan-1-amine
CID 170697393
N-[[4-[3-chloro-4-[2-chloro-3-[5-[(2,2-difluoroethylamino)methyl]-6-methoxy-2-pyridinyl]phenyl]-2-pyridinyl]-2-methoxyphenyl]methyl]-2,2-difluoroethanamine
CID 170697847
2-[(2-Chloro-4-pyridinyl)oxy]-3,5-difluoro-4-methyl-6-[4-(trifluoromethyl)phenyl]pyridine
CID 15540340
2-[(2-Chloro-4-pyridinyl)oxy]-3,5-difluoro-4-methyl-6-[3-(trifluoromethyl)phenyl]pyridine
CID 18359726
1-[[3-[1-[2-[4-Chloro-3-(trifluoromethyl)phenyl]pyrrol-1-yl]propoxy]phenyl]methyl]piperidine
CID 57261759
2-[4-[4-[(4-Chloro-3-fluorophenoxy)-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-(4-pentylcyclohexyl)pyridine
CID 58383331
2-[4-[4-[(4-Chloro-3,5-difluorophenoxy)-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-(4-pentylcyclohexyl)pyridine
CID 58383424

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2,4-dimethylbenzene;1-(1,1-difluoroethyl)-4-methylbenzene;1,2-difluoro-3-methylbenzene;1-fluoro-2,4-dimethylbenzene;1-fluoro-2-methyl-4-(trifluoromethoxy)benzene;2-methylpyridine;3-methylpyridine;1-methyl-3-(trifluoromethoxy)benzene;toluene;1,4-xylene?
The IUPAC name of 1-chloro-2,4-dimethylbenzene;1-(1,1-difluoroethyl)-4-methylbenzene;1,2-difluoro-3-methylbenzene;1-fluoro-2,4-dimethylbenzene;1-fluoro-2-methyl-4-(trifluoromethoxy)benzene;2-methylpyridine;3-methylpyridine;1-methyl-3-(trifluoromethoxy)benzene;toluene;1,4-xylene (CID 157262153) is 1-chloro-2,4-dimethylbenzene;1-(1,1-difluoroethyl)-4-methylbenzene;1,2-difluoro-3-methylbenzene;1-fluoro-2,4-dimethylbenzene;1-fluoro-2-methyl-4-(trifluoromethoxy)benzene;2-methylpyridine;3-methylpyridine;1-methyl-3-(trifluoromethoxy)benzene;toluene;1,4-xylene.
What is the SMILES notation for 1-chloro-2,4-dimethylbenzene;1-(1,1-difluoroethyl)-4-methylbenzene;1,2-difluoro-3-methylbenzene;1-fluoro-2,4-dimethylbenzene;1-fluoro-2-methyl-4-(trifluoromethoxy)benzene;2-methylpyridine;3-methylpyridine;1-methyl-3-(trifluoromethoxy)benzene;toluene;1,4-xylene?
The canonical SMILES for 1-chloro-2,4-dimethylbenzene;1-(1,1-difluoroethyl)-4-methylbenzene;1,2-difluoro-3-methylbenzene;1-fluoro-2,4-dimethylbenzene;1-fluoro-2-methyl-4-(trifluoromethoxy)benzene;2-methylpyridine;3-methylpyridine;1-methyl-3-(trifluoromethoxy)benzene;toluene;1,4-xylene is Cc1cc(OC(F)(F)F)ccc1F.Cc1ccc(C(C)(F)F)cc1.Cc1ccc(C)cc1.Cc1ccc(Cl)c(C)c1.Cc1ccc(F)c(C)c1.Cc1cccc(F)c1F.Cc1cccc(OC(F)(F)F)c1.Cc1ccccc1.Cc1ccccn1.Cc1cccnc1.
What is the InChIKey of 1-chloro-2,4-dimethylbenzene;1-(1,1-difluoroethyl)-4-methylbenzene;1,2-difluoro-3-methylbenzene;1-fluoro-2,4-dimethylbenzene;1-fluoro-2-methyl-4-(trifluoromethoxy)benzene;2-methylpyridine;3-methylpyridine;1-methyl-3-(trifluoromethoxy)benzene;toluene;1,4-xylene?
The InChIKey is AXOWHSFXYSHWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2.C8H9Cl.C8H6F4O.C8H7F3O.C8H9F.C8H10.C7H6F2.C7H8.2C6H7N/c1-7-3-5-8(6-4-7)9(2,10)11;1-6-3-4-8(9)7(2)5-6;1-5-4-6(2-3-7(5)9)13-8(10,11)12;1-6-3-2-4-7(5-6)12-8(9,10)11;1-6-3-4-8(9)7(2)5-6;1-7-3-5-8(2)6-4-7;1-5-3-2-4-6(8)7(5)9;1-7-5-3-2-4-6-7;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6/h3-6H,1-2H3;3-5H,1-2H3;2-4H,1H3;2-5H,1H3;3-5H,1-2H3;3-6H,1-2H3;2-4H,1H3;2-6H,1H3;2*2-5H,1H3.
What are the key properties of 1-chloro-2,4-dimethylbenzene;1-(1,1-difluoroethyl)-4-methylbenzene;1,2-difluoro-3-methylbenzene;1-fluoro-2,4-dimethylbenzene;1-fluoro-2-methyl-4-(trifluoromethoxy)benzene;2-methylpyridine;3-methylpyridine;1-methyl-3-(trifluoromethoxy)benzene;toluene;1,4-xylene?
1-chloro-2,4-dimethylbenzene;1-(1,1-difluoroethyl)-4-methylbenzene;1,2-difluoro-3-methylbenzene;1-fluoro-2,4-dimethylbenzene;1-fluoro-2-methyl-4-(trifluoromethoxy)benzene;2-methylpyridine;3-methylpyridine;1-methyl-3-(trifluoromethoxy)benzene;toluene;1,4-xylene has a molecular weight of 1303.90 g/mol, XLogP of 23.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2,4-dimethylbenzene;1-(1,1-difluoroethyl)-4-methylbenzene;1,2-difluoro-3-methylbenzene;1-fluoro-2,4-dimethylbenzene;1-fluoro-2-methyl-4-(trifluoromethoxy)benzene;2-methylpyridine;3-methylpyridine;1-methyl-3-(trifluoromethoxy)benzene;toluene;1,4-xylene is sourced from PubChem (CID 157262153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).