1-methyl-3-(trifluoromethyl)-5-[[2-(trifluoromethyl)phenyl]methyl]benzene

C16H12F6 — CID 162581958

IUPAC1-methyl-3-(trifluoromethyl)-5-[[2-(trifluoromethyl)phenyl]methyl]benzene
SMILESCc1cc(Cc2ccccc2C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C16H12F6/c1-10-6-11(9-13(7-10)15(17,18)19)8-12-4-2-3-5-14(12)16(20,21)22/h2-7,9H,8H2,1H3
InChIKeyYUQVPGBTOUQNRY-UHFFFAOYSA-N
MW318.26 g/mol
LogP5.62
Rot. Bonds2

About 1-methyl-3-(trifluoromethyl)-5-[[2-(trifluoromethyl)phenyl]methyl]benzene

1-methyl-3-(trifluoromethyl)-5-[[2-(trifluoromethyl)phenyl]methyl]benzene (PubChem CID 162581958) has the molecular formula C16H12F6 and a molecular weight of 318.26 g/mol. Its IUPAC name is 1-methyl-3-(trifluoromethyl)-5-[[2-(trifluoromethyl)phenyl]methyl]benzene.

Molecular Properties

Compound Name1-methyl-3-(trifluoromethyl)-5-[[2-(trifluoromethyl)phenyl]methyl]benzene
PubChem CID162581958
Molecular FormulaC16H12F6
Molecular Weight318.26 g/mol
Exact Mass318.08
IUPAC Name1-methyl-3-(trifluoromethyl)-5-[[2-(trifluoromethyl)phenyl]methyl]benzene
SMILESCc1cc(Cc2ccccc2C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C16H12F6/c1-10-6-11(9-13(7-10)15(17,18)19)8-12-4-2-3-5-14(12)16(20,21)22/h2-7,9H,8H2,1H3
InChIKeyYUQVPGBTOUQNRY-UHFFFAOYSA-N
XLogP5.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.26
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

N-[(3,5-dimethylphenyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
CID 62048755
3-[[2,5-bis(trifluoromethyl)phenyl]methyl]-5-methylbenzaldehyde
CID 122475736
1-methyl-3-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)benzene
CID 142829661
3-[[2-(trifluoromethyl)phenyl]methyl]aniline
CID 69380525
1-methoxy-4-[[2-(trifluoromethyl)phenyl]methyl]benzene
CID 71499549
1-benzyl-3,5-bis(trifluoromethyl)benzene
CID 11993967
1-methyl-2-(trifluoromethyl)benzene;1-methyl-3-(trifluoromethyl)benzene;1,4-xylene
CID 161222024
ethane;bis(1-(fluoromethyl)-2-(trifluoromethyl)benzene)
CID 145008249
1-methyl-3-phenyl-5-(trifluoromethyl)benzene
CID 46315073
1-(trifluoromethyl)-2-[2-[2-(trifluoromethyl)phenyl]ethyl]benzene
CID 2773232
2-(3,5-dimethylphenyl)-1-[2-(trifluoromethyl)phenyl]ethanone
CID 63409860
1,3-dimethyl-5-(trifluoromethyl)benzene;ethane
CID 143497301

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(trifluoromethyl)-5-[[2-(trifluoromethyl)phenyl]methyl]benzene?
The IUPAC name of 1-methyl-3-(trifluoromethyl)-5-[[2-(trifluoromethyl)phenyl]methyl]benzene (CID 162581958) is 1-methyl-3-(trifluoromethyl)-5-[[2-(trifluoromethyl)phenyl]methyl]benzene.
What is the SMILES notation for 1-methyl-3-(trifluoromethyl)-5-[[2-(trifluoromethyl)phenyl]methyl]benzene?
The canonical SMILES for 1-methyl-3-(trifluoromethyl)-5-[[2-(trifluoromethyl)phenyl]methyl]benzene is Cc1cc(Cc2ccccc2C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 1-methyl-3-(trifluoromethyl)-5-[[2-(trifluoromethyl)phenyl]methyl]benzene?
The InChIKey is YUQVPGBTOUQNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F6/c1-10-6-11(9-13(7-10)15(17,18)19)8-12-4-2-3-5-14(12)16(20,21)22/h2-7,9H,8H2,1H3.
What are the key properties of 1-methyl-3-(trifluoromethyl)-5-[[2-(trifluoromethyl)phenyl]methyl]benzene?
1-methyl-3-(trifluoromethyl)-5-[[2-(trifluoromethyl)phenyl]methyl]benzene has a molecular weight of 318.26 g/mol, XLogP of 5.62, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(trifluoromethyl)-5-[[2-(trifluoromethyl)phenyl]methyl]benzene is sourced from PubChem (CID 162581958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).