1,2,4-trichloro-3-fluoro-5-(trifluoromethyl)benzene

C7HCl3F4 — CID 23233529

IUPAC1,2,4-trichloro-3-fluoro-5-(trifluoromethyl)benzene
SMILESFc1c(Cl)c(Cl)cc(C(F)(F)F)c1Cl
InChIInChI=1S/C7HCl3F4/c8-3-1-2(7(12,13)14)4(9)6(11)5(3)10/h1H
InChIKeyCEBWLXNAWZXHDA-UHFFFAOYSA-N
MW267.44 g/mol
LogP4.80
Rot. Bonds

About 1,2,4-trichloro-3-fluoro-5-(trifluoromethyl)benzene

1,2,4-trichloro-3-fluoro-5-(trifluoromethyl)benzene (PubChem CID 23233529) has the molecular formula C7HCl3F4 and a molecular weight of 267.44 g/mol. Its IUPAC name is 1,2,4-trichloro-3-fluoro-5-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1,2,4-trichloro-3-fluoro-5-(trifluoromethyl)benzene
PubChem CID23233529
Molecular FormulaC7HCl3F4
Molecular Weight267.44 g/mol
Exact Mass265.91
IUPAC Name1,2,4-trichloro-3-fluoro-5-(trifluoromethyl)benzene
SMILESFc1c(Cl)c(Cl)cc(C(F)(F)F)c1Cl
InChIInChI=1S/C7HCl3F4/c8-3-1-2(7(12,13)14)4(9)6(11)5(3)10/h1H
InChIKeyCEBWLXNAWZXHDA-UHFFFAOYSA-N
XLogP4.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 1,2,4-trichloro-3-fluoro-5-(trifluoromethyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2-dichloro-5-fluoro-3-(trifluoromethyl)benzene
CID 119018682
1-chloro-3,4-difluoro-2-(trichloromethyl)-5-(trifluoromethyl)benzene
CID 44717491
3,4-dichloro-5-(trifluoromethyl)benzonitrile
CID 71384965
dichloro-[3,4-dichloro-5-(trifluoromethyl)phenyl]-methylsilane
CID 131882417
2-bromo-1-chloro-3-fluoro-4-(trifluoromethyl)benzene
CID 171032702
1,2,3-trichloro-5-(trifluoromethyl)benzene;1,2,3-trifluoro-5-(trifluoromethyl)benzene
CID 157268578
3-chloro-2-fluoro-4-(trifluoromethyl)aniline
CID 130849089
5-bromo-1-chloro-2-fluoro-3-(trifluoromethyl)benzene
CID 45358382
2-chloro-4,5-bis(trifluoromethyl)aniline
CID 118812765
1-[3,4-dichloro-5-(trifluoromethyl)phenyl]ethanone
CID 70700251
1-chloro-2-fluoro-5-methyl-3-(trifluoromethyl)benzene;ethane
CID 145381877
1-[3-chloro-4-fluoro-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanol
CID 89152672

Frequently Asked Questions

What is the IUPAC name of 1,2,4-trichloro-3-fluoro-5-(trifluoromethyl)benzene?
The IUPAC name of 1,2,4-trichloro-3-fluoro-5-(trifluoromethyl)benzene (CID 23233529) is 1,2,4-trichloro-3-fluoro-5-(trifluoromethyl)benzene.
What is the SMILES notation for 1,2,4-trichloro-3-fluoro-5-(trifluoromethyl)benzene?
The canonical SMILES for 1,2,4-trichloro-3-fluoro-5-(trifluoromethyl)benzene is Fc1c(Cl)c(Cl)cc(C(F)(F)F)c1Cl.
What is the InChIKey of 1,2,4-trichloro-3-fluoro-5-(trifluoromethyl)benzene?
The InChIKey is CEBWLXNAWZXHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7HCl3F4/c8-3-1-2(7(12,13)14)4(9)6(11)5(3)10/h1H.
What are the key properties of 1,2,4-trichloro-3-fluoro-5-(trifluoromethyl)benzene?
1,2,4-trichloro-3-fluoro-5-(trifluoromethyl)benzene has a molecular weight of 267.44 g/mol, XLogP of 4.80, 0 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-fluoro-5-(trifluoromethyl)benzene is sourced from PubChem (CID 23233529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).