1-methyl-3,5-bis(trifluoromethyl)benzene;2-methyl-1,3-bis(trifluoromethyl)benzene;1-methyl-2,3,4,5,6-pentakis(trifluoromethyl)benzene;1-methyl-2-(trifluoromethyl)benzene;1-methyl-3-(trifluoromethyl)benzene;1-methyl-4-(trifluoromethyl)benzene;2-methyl-1,3,5-tris(trifluoromethyl)benzene

C64H41F45 — CID 159640665

IUPAC1-methyl-3,5-bis(trifluoromethyl)benzene;2-methyl-1,3-bis(trifluoromethyl)benzene;1-methyl-2,3,4,5,6-pentakis(trifluoromethyl)benzene;1-methyl-2-(trifluoromethyl)benzene;1-methyl-3-(trifluoromethyl)benzene;1-methyl-4-(trifluoromethyl)benzene;2-methyl-1,3,5-tris(trifluoromethyl)benzene
SMILESCc1c(C(F)(F)F)c(C(F)(F)F)c(C(F)(F)F)c(C(F)(F)F)c1C(F)(F)F.Cc1c(C(F)(F)F)cc(C(F)(F)F)cc1C(F)(F)F.Cc1c(C(F)(F)F)cccc1C(F)(F)F.Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1.Cc1ccc(C(F)(F)F)cc1.Cc1cccc(C(F)(F)F)c1.Cc1ccccc1C(F)(F)F
InChIInChI=1S/C12H3F15.C10H5F9.2C9H6F6.3C8H7F3/c1-2-3(8(13,14)15)5(10(19,20)21)7(12(25,26)27)6(11(22,23)24)4(2)9(16,17)18;1-4-6(9(14,15)16)2-5(8(11,12)13)3-7(4)10(17,18)19;1-5-2-6(8(10,11)12)4-7(3-5)9(13,14)15;1-5-6(8(10,11)12)3-2-4-7(5)9(13,14)15;1-6-2-4-7(5-3-6)8(9,10)11;1-6-3-2-4-7(5-6)8(9,10)11;1-6-4-2-3-5-7(6)8(9,10)11/h1H3;2-3H,1H3;2*2-4H,1H3;3*2-5H,1H3
InChIKeyMQHUZJWYTSGSAM-UHFFFAOYSA-N
MW1664.94 g/mol
LogP29.25
Rot. Bonds

About 1-methyl-3,5-bis(trifluoromethyl)benzene;2-methyl-1,3-bis(trifluoromethyl)benzene;1-methyl-2,3,4,5,6-pentakis(trifluoromethyl)benzene;1-methyl-2-(trifluoromethyl)benzene;1-methyl-3-(trifluoromethyl)benzene;1-methyl-4-(trifluoromethyl)benzene;2-methyl-1,3,5-tris(trifluoromethyl)benzene

1-methyl-3,5-bis(trifluoromethyl)benzene;2-methyl-1,3-bis(trifluoromethyl)benzene;1-methyl-2,3,4,5,6-pentakis(trifluoromethyl)benzene;1-methyl-2-(trifluoromethyl)benzene;1-methyl-3-(trifluoromethyl)benzene;1-methyl-4-(trifluoromethyl)benzene;2-methyl-1,3,5-tris(trifluoromethyl)benzene (PubChem CID 159640665) has the molecular formula C64H41F45 and a molecular weight of 1664.94 g/mol. Its IUPAC name is 1-methyl-3,5-bis(trifluoromethyl)benzene;2-methyl-1,3-bis(trifluoromethyl)benzene;1-methyl-2,3,4,5,6-pentakis(trifluoromethyl)benzene;1-methyl-2-(trifluoromethyl)benzene;1-methyl-3-(trifluoromethyl)benzene;1-methyl-4-(trifluoromethyl)benzene;2-methyl-1,3,5-tris(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-methyl-3,5-bis(trifluoromethyl)benzene;2-methyl-1,3-bis(trifluoromethyl)benzene;1-methyl-2,3,4,5,6-pentakis(trifluoromethyl)benzene;1-methyl-2-(trifluoromethyl)benzene;1-methyl-3-(trifluoromethyl)benzene;1-methyl-4-(trifluoromethyl)benzene;2-methyl-1,3,5-tris(trifluoromethyl)benzene
PubChem CID159640665
Molecular FormulaC64H41F45
Molecular Weight1664.94 g/mol
Exact Mass1664.25
IUPAC Name1-methyl-3,5-bis(trifluoromethyl)benzene;2-methyl-1,3-bis(trifluoromethyl)benzene;1-methyl-2,3,4,5,6-pentakis(trifluoromethyl)benzene;1-methyl-2-(trifluoromethyl)benzene;1-methyl-3-(trifluoromethyl)benzene;1-methyl-4-(trifluoromethyl)benzene;2-methyl-1,3,5-tris(trifluoromethyl)benzene
SMILESCc1c(C(F)(F)F)c(C(F)(F)F)c(C(F)(F)F)c(C(F)(F)F)c1C(F)(F)F.Cc1c(C(F)(F)F)cc(C(F)(F)F)cc1C(F)(F)F.Cc1c(C(F)(F)F)cccc1C(F)(F)F.Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1.Cc1ccc(C(F)(F)F)cc1.Cc1cccc(C(F)(F)F)c1.Cc1ccccc1C(F)(F)F
InChIInChI=1S/C12H3F15.C10H5F9.2C9H6F6.3C8H7F3/c1-2-3(8(13,14)15)5(10(19,20)21)7(12(25,26)27)6(11(22,23)24)4(2)9(16,17)18;1-4-6(9(14,15)16)2-5(8(11,12)13)3-7(4)10(17,18)19;1-5-2-6(8(10,11)12)4-7(3-5)9(13,14)15;1-5-6(8(10,11)12)3-2-4-7(5)9(13,14)15;1-6-2-4-7(5-3-6)8(9,10)11;1-6-3-2-4-7(5-6)8(9,10)11;1-6-4-2-3-5-7(6)8(9,10)11/h1H3;2-3H,1H3;2*2-4H,1H3;3*2-5H,1H3
InChIKeyMQHUZJWYTSGSAM-UHFFFAOYSA-N
XLogP29.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms109
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001664.94
LogP ≤ 529.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-methyl-3,5-bis(trifluoromethyl)benzene;2-methyl-1,3-bis(trifluoromethyl)benzene;1-methyl-2,3,4,5,6-pentakis(trifluoromethyl)benzene;1-methyl-2-(trifluoromethyl)benzene;1-methyl-3-(trifluoromethyl)benzene;1-methyl-4-(trifluoromethyl)benzene;2-methyl-1,3,5-tris(trifluoromethyl)benzene with MolForge

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Related Compounds

1-methyl-2-(trifluoromethyl)benzene;1-methyl-3-(trifluoromethyl)benzene;1,4-xylene
CID 161222024
1-methyl-4-(trifluoromethyl)benzene;toluene
CID 159876070
1,5-difluoro-2,3-dimethylbenzene;1-methyl-2-(trifluoromethyl)benzene;1-methyl-3-(trifluoromethyl)benzene;1-methyl-4-(trifluoromethyl)benzene;1,2,3,5-tetrafluoro-4,6-dimethylbenzene;2,3,6-trifluoro-4,5-dimethylphenol;tris((2,3,5-trifluoro-4,6-dimethylphenyl)methanol)
CID 159782692
1,2-dimethyl-3-(trifluoromethyl)benzene;1,4-dimethyl-2-(trifluoromethyl)benzene;ethane
CID 165397677
1-[difluoro-(3-methylphenyl)methyl]-4-methylbenzene;1-[difluoro-(4-methylphenyl)methyl]-4-methylbenzene
CID 143856845
bis(tert-butylbenzene);1-tert-butyl-3-fluoro-5-methylbenzene;4-tert-butyl-2-fluoro-1-methylbenzene;bis(1-tert-butyl-4-methoxybenzene);4-tert-butyl-1-methoxy-2-(trifluoromethyl)benzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-3-methyl-5-(trifluoromethyl)benzene;methane;1,3,5-tritert-butylbenzene
CID 159722061
ethane;1-fluoro-2-methyl-3-(trifluoromethyl)benzene;toluene
CID 143604043
ethane;toluene;trifluoromethylbenzene
CID 161105309
1-tert-butyl-2-methylbenzene;1-tert-butyl-4-methylbenzene;1,3-ditert-butyl-5-methylbenzene;1-fluoro-4-methylbenzene;1,2,3,5-tetramethylbenzene;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene
CID 158267653
1-[2,4-bis(trifluoromethyl)phenyl]-3-methyl-5-(trifluoromethyl)benzene
CID 169072232
bis(3,5-difluorophenyl)-phenylsulfanium;bis(3-fluorophenyl)-phenylsulfanium;[3,5-bis(trifluoromethyl)phenyl]-bis[3-methyl-5-(trifluoromethyl)phenyl]sulfanium;[3,5-bis(trifluoromethyl)phenyl]-[3-methyl-5-(trifluoromethyl)phenyl]-phenylsulfanium;(3-methylphenyl)-bis[3-(trifluoromethyl)phenyl]sulfanium;(3-methylphenyl)-phenyl-[3-(trifluoromethyl)phenyl]sulfanium;tris(3,5-difluorophenyl)sulfanium
CID 159676734
1-methyl-3-(trifluoromethyl)-5-[[2-(trifluoromethyl)phenyl]methyl]benzene
CID 162581958

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3,5-bis(trifluoromethyl)benzene;2-methyl-1,3-bis(trifluoromethyl)benzene;1-methyl-2,3,4,5,6-pentakis(trifluoromethyl)benzene;1-methyl-2-(trifluoromethyl)benzene;1-methyl-3-(trifluoromethyl)benzene;1-methyl-4-(trifluoromethyl)benzene;2-methyl-1,3,5-tris(trifluoromethyl)benzene?
The IUPAC name of 1-methyl-3,5-bis(trifluoromethyl)benzene;2-methyl-1,3-bis(trifluoromethyl)benzene;1-methyl-2,3,4,5,6-pentakis(trifluoromethyl)benzene;1-methyl-2-(trifluoromethyl)benzene;1-methyl-3-(trifluoromethyl)benzene;1-methyl-4-(trifluoromethyl)benzene;2-methyl-1,3,5-tris(trifluoromethyl)benzene (CID 159640665) is 1-methyl-3,5-bis(trifluoromethyl)benzene;2-methyl-1,3-bis(trifluoromethyl)benzene;1-methyl-2,3,4,5,6-pentakis(trifluoromethyl)benzene;1-methyl-2-(trifluoromethyl)benzene;1-methyl-3-(trifluoromethyl)benzene;1-methyl-4-(trifluoromethyl)benzene;2-methyl-1,3,5-tris(trifluoromethyl)benzene.
What is the SMILES notation for 1-methyl-3,5-bis(trifluoromethyl)benzene;2-methyl-1,3-bis(trifluoromethyl)benzene;1-methyl-2,3,4,5,6-pentakis(trifluoromethyl)benzene;1-methyl-2-(trifluoromethyl)benzene;1-methyl-3-(trifluoromethyl)benzene;1-methyl-4-(trifluoromethyl)benzene;2-methyl-1,3,5-tris(trifluoromethyl)benzene?
The canonical SMILES for 1-methyl-3,5-bis(trifluoromethyl)benzene;2-methyl-1,3-bis(trifluoromethyl)benzene;1-methyl-2,3,4,5,6-pentakis(trifluoromethyl)benzene;1-methyl-2-(trifluoromethyl)benzene;1-methyl-3-(trifluoromethyl)benzene;1-methyl-4-(trifluoromethyl)benzene;2-methyl-1,3,5-tris(trifluoromethyl)benzene is Cc1c(C(F)(F)F)c(C(F)(F)F)c(C(F)(F)F)c(C(F)(F)F)c1C(F)(F)F.Cc1c(C(F)(F)F)cc(C(F)(F)F)cc1C(F)(F)F.Cc1c(C(F)(F)F)cccc1C(F)(F)F.Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1.Cc1ccc(C(F)(F)F)cc1.Cc1cccc(C(F)(F)F)c1.Cc1ccccc1C(F)(F)F.
What is the InChIKey of 1-methyl-3,5-bis(trifluoromethyl)benzene;2-methyl-1,3-bis(trifluoromethyl)benzene;1-methyl-2,3,4,5,6-pentakis(trifluoromethyl)benzene;1-methyl-2-(trifluoromethyl)benzene;1-methyl-3-(trifluoromethyl)benzene;1-methyl-4-(trifluoromethyl)benzene;2-methyl-1,3,5-tris(trifluoromethyl)benzene?
The InChIKey is MQHUZJWYTSGSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H3F15.C10H5F9.2C9H6F6.3C8H7F3/c1-2-3(8(13,14)15)5(10(19,20)21)7(12(25,26)27)6(11(22,23)24)4(2)9(16,17)18;1-4-6(9(14,15)16)2-5(8(11,12)13)3-7(4)10(17,18)19;1-5-2-6(8(10,11)12)4-7(3-5)9(13,14)15;1-5-6(8(10,11)12)3-2-4-7(5)9(13,14)15;1-6-2-4-7(5-3-6)8(9,10)11;1-6-3-2-4-7(5-6)8(9,10)11;1-6-4-2-3-5-7(6)8(9,10)11/h1H3;2-3H,1H3;2*2-4H,1H3;3*2-5H,1H3.
What are the key properties of 1-methyl-3,5-bis(trifluoromethyl)benzene;2-methyl-1,3-bis(trifluoromethyl)benzene;1-methyl-2,3,4,5,6-pentakis(trifluoromethyl)benzene;1-methyl-2-(trifluoromethyl)benzene;1-methyl-3-(trifluoromethyl)benzene;1-methyl-4-(trifluoromethyl)benzene;2-methyl-1,3,5-tris(trifluoromethyl)benzene?
1-methyl-3,5-bis(trifluoromethyl)benzene;2-methyl-1,3-bis(trifluoromethyl)benzene;1-methyl-2,3,4,5,6-pentakis(trifluoromethyl)benzene;1-methyl-2-(trifluoromethyl)benzene;1-methyl-3-(trifluoromethyl)benzene;1-methyl-4-(trifluoromethyl)benzene;2-methyl-1,3,5-tris(trifluoromethyl)benzene has a molecular weight of 1664.94 g/mol, XLogP of 29.25, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,5-bis(trifluoromethyl)benzene;2-methyl-1,3-bis(trifluoromethyl)benzene;1-methyl-2,3,4,5,6-pentakis(trifluoromethyl)benzene;1-methyl-2-(trifluoromethyl)benzene;1-methyl-3-(trifluoromethyl)benzene;1-methyl-4-(trifluoromethyl)benzene;2-methyl-1,3,5-tris(trifluoromethyl)benzene is sourced from PubChem (CID 159640665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).