1-[2,4-bis(trifluoromethyl)phenyl]-3-methyl-5-(trifluoromethyl)benzene

C16H9F9 — CID 169072232

IUPAC1-[2,4-bis(trifluoromethyl)phenyl]-3-methyl-5-(trifluoromethyl)benzene
SMILESCc1cc(-c2ccc(C(F)(F)F)cc2C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C16H9F9/c1-8-4-9(6-11(5-8)15(20,21)22)12-3-2-10(14(17,18)19)7-13(12)16(23,24)25/h2-7H,1H3
InChIKeyJIDZHTXGVBIFFJ-UHFFFAOYSA-N
MW372.23 g/mol
LogP6.72
Rot. Bonds1

About 1-[2,4-bis(trifluoromethyl)phenyl]-3-methyl-5-(trifluoromethyl)benzene

1-[2,4-bis(trifluoromethyl)phenyl]-3-methyl-5-(trifluoromethyl)benzene (PubChem CID 169072232) has the molecular formula C16H9F9 and a molecular weight of 372.23 g/mol. Its IUPAC name is 1-[2,4-bis(trifluoromethyl)phenyl]-3-methyl-5-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[2,4-bis(trifluoromethyl)phenyl]-3-methyl-5-(trifluoromethyl)benzene
PubChem CID169072232
Molecular FormulaC16H9F9
Molecular Weight372.23 g/mol
Exact Mass372.06
IUPAC Name1-[2,4-bis(trifluoromethyl)phenyl]-3-methyl-5-(trifluoromethyl)benzene
SMILESCc1cc(-c2ccc(C(F)(F)F)cc2C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C16H9F9/c1-8-4-9(6-11(5-8)15(20,21)22)12-3-2-10(14(17,18)19)7-13(12)16(23,24)25/h2-7H,1H3
InChIKeyJIDZHTXGVBIFFJ-UHFFFAOYSA-N
XLogP6.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.23
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(4-bromo-3-methylphenyl)-2,4-bis(trifluoromethyl)benzene
CID 164892534
1-(4-bromophenyl)-2,4-bis(trifluoromethyl)benzene
CID 173271329
1-fluoro-4-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]benzene
CID 152897168
3-[2,4-bis(trifluoromethyl)phenyl]furan
CID 141204154
1-(3,4-dichlorophenyl)-2,4-bis(trifluoromethyl)benzene
CID 173271206
4-[2,4-bis(trifluoromethyl)phenyl]-2,6-difluorobenzonitrile
CID 134473360
1-methyl-3-phenyl-5-(trifluoromethyl)benzene
CID 46315073
2,4-bis(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]benzene
CID 134617711
1,3-dimethyl-5-(trifluoromethyl)benzene;ethane
CID 143497301
9-[4-[2,4-bis(trifluoromethyl)phenyl]-2-[2-(3,6-dimethylcarbazol-9-yl)-4-methylphenyl]phenyl]-3,6-dimethylcarbazole
CID 163990430
2-methyl-4-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]benzene
CID 134627753
1-[2,4-bis(trifluoromethyl)phenyl]-4-methyl-2-propan-2-ylbenzene;bis(1-[3,5-bis(trifluoromethyl)phenyl]-3-methyl-5-propan-2-ylbenzene);1-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-propan-2-ylbenzene;1-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]-5-propan-2-ylbenzene;1,2,3,4,5-pentafluoro-6-(3-methyl-5-propan-2-ylphenyl)benzene
CID 163497426

Frequently Asked Questions

What is the IUPAC name of 1-[2,4-bis(trifluoromethyl)phenyl]-3-methyl-5-(trifluoromethyl)benzene?
The IUPAC name of 1-[2,4-bis(trifluoromethyl)phenyl]-3-methyl-5-(trifluoromethyl)benzene (CID 169072232) is 1-[2,4-bis(trifluoromethyl)phenyl]-3-methyl-5-(trifluoromethyl)benzene.
What is the SMILES notation for 1-[2,4-bis(trifluoromethyl)phenyl]-3-methyl-5-(trifluoromethyl)benzene?
The canonical SMILES for 1-[2,4-bis(trifluoromethyl)phenyl]-3-methyl-5-(trifluoromethyl)benzene is Cc1cc(-c2ccc(C(F)(F)F)cc2C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 1-[2,4-bis(trifluoromethyl)phenyl]-3-methyl-5-(trifluoromethyl)benzene?
The InChIKey is JIDZHTXGVBIFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F9/c1-8-4-9(6-11(5-8)15(20,21)22)12-3-2-10(14(17,18)19)7-13(12)16(23,24)25/h2-7H,1H3.
What are the key properties of 1-[2,4-bis(trifluoromethyl)phenyl]-3-methyl-5-(trifluoromethyl)benzene?
1-[2,4-bis(trifluoromethyl)phenyl]-3-methyl-5-(trifluoromethyl)benzene has a molecular weight of 372.23 g/mol, XLogP of 6.72, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-bis(trifluoromethyl)phenyl]-3-methyl-5-(trifluoromethyl)benzene is sourced from PubChem (CID 169072232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).