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

C14H8Cl3F3 — CID 134628470

IUPAC1,3,5-trichloro-2-[4-methyl-3-(trifluoromethyl)phenyl]benzene
SMILESCc1ccc(-c2c(Cl)cc(Cl)cc2Cl)cc1C(F)(F)F
InChIInChI=1S/C14H8Cl3F3/c1-7-2-3-8(4-10(7)14(18,19)20)13-11(16)5-9(15)6-12(13)17/h2-6H,1H3
InChIKeyGYIVMROJCOIABA-UHFFFAOYSA-N
MW339.57 g/mol
LogP6.64
Rot. Bonds1

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

1,3,5-trichloro-2-[4-methyl-3-(trifluoromethyl)phenyl]benzene (PubChem CID 134628470) has the molecular formula C14H8Cl3F3 and a molecular weight of 339.57 g/mol. Its IUPAC name is 1,3,5-trichloro-2-[4-methyl-3-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name1,3,5-trichloro-2-[4-methyl-3-(trifluoromethyl)phenyl]benzene
PubChem CID134628470
Molecular FormulaC14H8Cl3F3
Molecular Weight339.57 g/mol
Exact Mass337.96
IUPAC Name1,3,5-trichloro-2-[4-methyl-3-(trifluoromethyl)phenyl]benzene
SMILESCc1ccc(-c2c(Cl)cc(Cl)cc2Cl)cc1C(F)(F)F
InChIInChI=1S/C14H8Cl3F3/c1-7-2-3-8(4-10(7)14(18,19)20)13-11(16)5-9(15)6-12(13)17/h2-6H,1H3
InChIKeyGYIVMROJCOIABA-UHFFFAOYSA-N
XLogP6.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.57
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-4-[4-[4-methyl-3-(trifluoromethyl)phenyl]phenyl]-2-(trifluoromethyl)benzene
CID 87917003
1-methyl-4-[3-methyl-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene
CID 145326539
9-(3,4-dimethylphenyl)-10-[4-methyl-3-(trifluoromethyl)phenyl]anthracene
CID 129212253
1-bromo-4-(2-chloro-6-methylphenyl)-2-(trifluoromethyl)benzene
CID 66252198
9-(3,4-dimethylphenyl)-2,3-dimethyl-10-[4-methyl-3-(trifluoromethyl)phenyl]anthracene
CID 129212252
9,10-bis[4-[4-methyl-3-(trifluoromethyl)phenyl]phenyl]anthracene
CID 129213075
5-(3-chloro-4-methylphenyl)-2-methyl-3-(trifluoromethyl)aniline
CID 165458315
2-tert-butyl-9,10-bis[4-methyl-3-(trifluoromethyl)phenyl]anthracene
CID 129213068
1,5-dichloro-3-methyl-2-(trifluoromethyl)benzene
CID 59146247
4-chloro-2-methyl-1-(trifluoromethyl)benzene
CID 12712338
5-(2,6-dimethylphenyl)-2-fluoro-1-methyl-3-(trifluoromethyl)benzene
CID 170027583
1,2-dichloro-4-[4-chloro-3-(trifluoromethyl)phenyl]benzene
CID 118805005

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trichloro-2-[4-methyl-3-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 1,3,5-trichloro-2-[4-methyl-3-(trifluoromethyl)phenyl]benzene (CID 134628470) is 1,3,5-trichloro-2-[4-methyl-3-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 1,3,5-trichloro-2-[4-methyl-3-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 1,3,5-trichloro-2-[4-methyl-3-(trifluoromethyl)phenyl]benzene is Cc1ccc(-c2c(Cl)cc(Cl)cc2Cl)cc1C(F)(F)F.
What is the InChIKey of 1,3,5-trichloro-2-[4-methyl-3-(trifluoromethyl)phenyl]benzene?
The InChIKey is GYIVMROJCOIABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl3F3/c1-7-2-3-8(4-10(7)14(18,19)20)13-11(16)5-9(15)6-12(13)17/h2-6H,1H3.
What are the key properties of 1,3,5-trichloro-2-[4-methyl-3-(trifluoromethyl)phenyl]benzene?
1,3,5-trichloro-2-[4-methyl-3-(trifluoromethyl)phenyl]benzene has a molecular weight of 339.57 g/mol, XLogP of 6.64, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trichloro-2-[4-methyl-3-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 134628470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).