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

C13H6Cl3F3 — CID 119011151

IUPAC1,2,4-trichloro-3-[3-(trifluoromethyl)phenyl]benzene
SMILESFC(F)(F)c1cccc(-c2c(Cl)ccc(Cl)c2Cl)c1
InChIInChI=1S/C13H6Cl3F3/c14-9-4-5-10(15)12(16)11(9)7-2-1-3-8(6-7)13(17,18)19/h1-6H
InChIKeyKENTUOUUVRZSPR-UHFFFAOYSA-N
MW325.54 g/mol
LogP6.33
Rot. Bonds1

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

1,2,4-trichloro-3-[3-(trifluoromethyl)phenyl]benzene (PubChem CID 119011151) has the molecular formula C13H6Cl3F3 and a molecular weight of 325.54 g/mol. Its IUPAC name is 1,2,4-trichloro-3-[3-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name1,2,4-trichloro-3-[3-(trifluoromethyl)phenyl]benzene
PubChem CID119011151
Molecular FormulaC13H6Cl3F3
Molecular Weight325.54 g/mol
Exact Mass323.95
IUPAC Name1,2,4-trichloro-3-[3-(trifluoromethyl)phenyl]benzene
SMILESFC(F)(F)c1cccc(-c2c(Cl)ccc(Cl)c2Cl)c1
InChIInChI=1S/C13H6Cl3F3/c14-9-4-5-10(15)12(16)11(9)7-2-1-3-8(6-7)13(17,18)19/h1-6H
InChIKeyKENTUOUUVRZSPR-UHFFFAOYSA-N
XLogP6.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.54
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1,2,3,4,5-pentachloro-6-[3-(trifluoromethyl)phenyl]benzene
CID 134617383
1,4-dichloro-2-[3-(trifluoromethyl)phenyl]benzene
CID 118992050
2-chloro-5-[3-(trifluoromethyl)phenyl]aniline
CID 62909928
1,2,4-trichloro-3-[3-(chloromethyl)-5-(trifluoromethyl)phenyl]benzene
CID 134622327
1,3-bis(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene
CID 57112029
4-bromo-1-chloro-2-[3-(trifluoromethyl)phenyl]benzene
CID 173139448
1,3,5-trifluoro-2-[3-(trifluoromethyl)phenyl]benzene
CID 119010297
1-chloro-4-(difluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene
CID 118999324
2-chloro-1-(chloromethyl)-4-[3-(trifluoromethyl)phenyl]benzene
CID 134626202
2,3,5,6-tetrafluoro-4-[3-(trifluoromethyl)phenyl]pyridine
CID 119006662
[5-chloro-6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]methanol
CID 134625740
1-chloro-2-(3-chlorophenyl)-4-(trifluoromethyl)benzene
CID 91233147

Frequently Asked Questions

What is the IUPAC name of 1,2,4-trichloro-3-[3-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 1,2,4-trichloro-3-[3-(trifluoromethyl)phenyl]benzene (CID 119011151) is 1,2,4-trichloro-3-[3-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 1,2,4-trichloro-3-[3-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 1,2,4-trichloro-3-[3-(trifluoromethyl)phenyl]benzene is FC(F)(F)c1cccc(-c2c(Cl)ccc(Cl)c2Cl)c1.
What is the InChIKey of 1,2,4-trichloro-3-[3-(trifluoromethyl)phenyl]benzene?
The InChIKey is KENTUOUUVRZSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl3F3/c14-9-4-5-10(15)12(16)11(9)7-2-1-3-8(6-7)13(17,18)19/h1-6H.
What are the key properties of 1,2,4-trichloro-3-[3-(trifluoromethyl)phenyl]benzene?
1,2,4-trichloro-3-[3-(trifluoromethyl)phenyl]benzene has a molecular weight of 325.54 g/mol, XLogP of 6.33, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-trichloro-3-[3-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 119011151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).