1,2-dimethyl-4-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-5-(trifluoromethyl)benzene

C18H16F6 — CID 143655992

IUPAC1,2-dimethyl-4-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-5-(trifluoromethyl)benzene
SMILESCc1cc(Cc2ccc(C(F)(F)F)cc2C)c(C(F)(F)F)cc1C
InChIInChI=1S/C18H16F6/c1-10-6-14(16(8-11(10)2)18(22,23)24)9-13-4-5-15(7-12(13)3)17(19,20)21/h4-8H,9H2,1-3H3
InChIKeyOHUWRWWPDFRKTH-UHFFFAOYSA-N
MW346.31 g/mol
LogP6.24
Rot. Bonds2

About 1,2-dimethyl-4-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-5-(trifluoromethyl)benzene

1,2-dimethyl-4-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-5-(trifluoromethyl)benzene (PubChem CID 143655992) has the molecular formula C18H16F6 and a molecular weight of 346.31 g/mol. Its IUPAC name is 1,2-dimethyl-4-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-5-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1,2-dimethyl-4-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-5-(trifluoromethyl)benzene
PubChem CID143655992
Molecular FormulaC18H16F6
Molecular Weight346.31 g/mol
Exact Mass346.12
IUPAC Name1,2-dimethyl-4-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-5-(trifluoromethyl)benzene
SMILESCc1cc(Cc2ccc(C(F)(F)F)cc2C)c(C(F)(F)F)cc1C
InChIInChI=1S/C18H16F6/c1-10-6-14(16(8-11(10)2)18(22,23)24)9-13-4-5-15(7-12(13)3)17(19,20)21/h4-8H,9H2,1-3H3
InChIKeyOHUWRWWPDFRKTH-UHFFFAOYSA-N
XLogP6.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.31
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-2-[2-[2-methyl-4-(trifluoromethyl)phenyl]ethyl]-4-(trifluoromethyl)benzene
CID 123542451
2-[[5-methoxy-4-methyl-2-(trifluoromethyl)phenyl]methyl]-6-(trifluoromethyl)-1,3-benzothiazole
CID 162140896
2-methyl-1-(2-phenylethyl)-4-(trifluoromethyl)benzene
CID 91426393
N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]propan-2-amine
CID 102754125
2-methyl-1-[(2R)-2-methylbutyl]-4-(trifluoromethyl)benzene
CID 135135802
1-(ethoxymethyl)-2,4-bis(trifluoromethyl)benzene
CID 90702752
ethane;2-fluoro-1-methyl-4-(trifluoromethyl)benzene;4-fluoro-1-methyl-2-(trifluoromethyl)benzene
CID 145466180
1-(cyclopenta-1,3-dien-1-ylmethyl)-2,4-bis(trifluoromethyl)benzene
CID 21221912
1-(azidomethyl)-2-methyl-4-(trifluoromethyl)benzene
CID 150075481
N,N'-dimethyl-N'-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine
CID 120843617
1-ethyl-2-methyl-4,5-bis(trifluoromethyl)benzene
CID 135742868
1-(3-bromopentyl)-2-methyl-4-(trifluoromethyl)benzene
CID 102756185

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-5-(trifluoromethyl)benzene?
The IUPAC name of 1,2-dimethyl-4-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-5-(trifluoromethyl)benzene (CID 143655992) is 1,2-dimethyl-4-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-5-(trifluoromethyl)benzene.
What is the SMILES notation for 1,2-dimethyl-4-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-5-(trifluoromethyl)benzene?
The canonical SMILES for 1,2-dimethyl-4-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-5-(trifluoromethyl)benzene is Cc1cc(Cc2ccc(C(F)(F)F)cc2C)c(C(F)(F)F)cc1C.
What is the InChIKey of 1,2-dimethyl-4-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-5-(trifluoromethyl)benzene?
The InChIKey is OHUWRWWPDFRKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F6/c1-10-6-14(16(8-11(10)2)18(22,23)24)9-13-4-5-15(7-12(13)3)17(19,20)21/h4-8H,9H2,1-3H3.
What are the key properties of 1,2-dimethyl-4-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-5-(trifluoromethyl)benzene?
1,2-dimethyl-4-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-5-(trifluoromethyl)benzene has a molecular weight of 346.31 g/mol, XLogP of 6.24, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-5-(trifluoromethyl)benzene is sourced from PubChem (CID 143655992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).