1-methyl-2-[2-[2-methyl-4-(trifluoromethyl)phenyl]ethyl]-4-(trifluoromethyl)benzene

C18H16F6 — CID 123542451

IUPAC1-methyl-2-[2-[2-methyl-4-(trifluoromethyl)phenyl]ethyl]-4-(trifluoromethyl)benzene
SMILESCc1cc(C(F)(F)F)ccc1CCc1cc(C(F)(F)F)ccc1C
InChIInChI=1S/C18H16F6/c1-11-3-7-16(18(22,23)24)10-14(11)5-4-13-6-8-15(9-12(13)2)17(19,20)21/h3,6-10H,4-5H2,1-2H3
InChIKeyTVFSFFDOJBMBKK-UHFFFAOYSA-N
MW346.31 g/mol
LogP6.13
Rot. Bonds3

About 1-methyl-2-[2-[2-methyl-4-(trifluoromethyl)phenyl]ethyl]-4-(trifluoromethyl)benzene

1-methyl-2-[2-[2-methyl-4-(trifluoromethyl)phenyl]ethyl]-4-(trifluoromethyl)benzene (PubChem CID 123542451) has the molecular formula C18H16F6 and a molecular weight of 346.31 g/mol. Its IUPAC name is 1-methyl-2-[2-[2-methyl-4-(trifluoromethyl)phenyl]ethyl]-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-methyl-2-[2-[2-methyl-4-(trifluoromethyl)phenyl]ethyl]-4-(trifluoromethyl)benzene
PubChem CID123542451
Molecular FormulaC18H16F6
Molecular Weight346.31 g/mol
Exact Mass346.12
IUPAC Name1-methyl-2-[2-[2-methyl-4-(trifluoromethyl)phenyl]ethyl]-4-(trifluoromethyl)benzene
SMILESCc1cc(C(F)(F)F)ccc1CCc1cc(C(F)(F)F)ccc1C
InChIInChI=1S/C18H16F6/c1-11-3-7-16(18(22,23)24)10-14(11)5-4-13-6-8-15(9-12(13)2)17(19,20)21/h3,6-10H,4-5H2,1-2H3
InChIKeyTVFSFFDOJBMBKK-UHFFFAOYSA-N
XLogP6.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.31
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-methyl-1-(2-phenylethyl)-4-(trifluoromethyl)benzene
CID 91426393
2-(3-bromopropyl)-1-methyl-4-(trifluoromethyl)benzene
CID 134621822
(2S)-1-[2-methyl-5-(trifluoromethyl)phenyl]propan-2-amine
CID 70970416
1-(3-bromopentyl)-2-methyl-4-(trifluoromethyl)benzene
CID 102756185
N,N'-dimethyl-N'-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine
CID 120843617
1,2-dimethyl-4-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-5-(trifluoromethyl)benzene
CID 143655992
3-[2-methyl-4-(trifluoromethyl)phenyl]-1-phenylpropan-1-one
CID 102755961
N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]propan-2-amine
CID 102754125
2-methyl-1-[(2R)-2-methylbutyl]-4-(trifluoromethyl)benzene
CID 135135802
2-bromo-1-(bromomethyl)-4-(trifluoromethyl)benzene;2-bromo-1-methyl-4-(trifluoromethyl)benzene
CID 159745589
1-(azidomethyl)-2-methyl-4-(trifluoromethyl)benzene
CID 150075481
1-[2-[5-(3,4-dimethylphenoxy)-2-methylphenyl]ethyl]-4-[2-(3,4-dimethylphenyl)propan-2-yl]-2-methylbenzene
CID 170268037

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[2-[2-methyl-4-(trifluoromethyl)phenyl]ethyl]-4-(trifluoromethyl)benzene?
The IUPAC name of 1-methyl-2-[2-[2-methyl-4-(trifluoromethyl)phenyl]ethyl]-4-(trifluoromethyl)benzene (CID 123542451) is 1-methyl-2-[2-[2-methyl-4-(trifluoromethyl)phenyl]ethyl]-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-methyl-2-[2-[2-methyl-4-(trifluoromethyl)phenyl]ethyl]-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-methyl-2-[2-[2-methyl-4-(trifluoromethyl)phenyl]ethyl]-4-(trifluoromethyl)benzene is Cc1cc(C(F)(F)F)ccc1CCc1cc(C(F)(F)F)ccc1C.
What is the InChIKey of 1-methyl-2-[2-[2-methyl-4-(trifluoromethyl)phenyl]ethyl]-4-(trifluoromethyl)benzene?
The InChIKey is TVFSFFDOJBMBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F6/c1-11-3-7-16(18(22,23)24)10-14(11)5-4-13-6-8-15(9-12(13)2)17(19,20)21/h3,6-10H,4-5H2,1-2H3.
What are the key properties of 1-methyl-2-[2-[2-methyl-4-(trifluoromethyl)phenyl]ethyl]-4-(trifluoromethyl)benzene?
1-methyl-2-[2-[2-methyl-4-(trifluoromethyl)phenyl]ethyl]-4-(trifluoromethyl)benzene has a molecular weight of 346.31 g/mol, XLogP of 6.13, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[2-[2-methyl-4-(trifluoromethyl)phenyl]ethyl]-4-(trifluoromethyl)benzene is sourced from PubChem (CID 123542451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).