1,3-dichloro-5-[4-(trifluoromethyl)phenyl]benzene

C13H7Cl2F3 — CID 57139215

IUPAC1,3-dichloro-5-[4-(trifluoromethyl)phenyl]benzene
SMILESFC(F)(F)c1ccc(-c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C13H7Cl2F3/c14-11-5-9(6-12(15)7-11)8-1-3-10(4-2-8)13(16,17)18/h1-7H
InChIKeyZBPZUFYVMGQXTE-UHFFFAOYSA-N
MW291.10 g/mol
LogP5.68
Rot. Bonds1

About 1,3-dichloro-5-[4-(trifluoromethyl)phenyl]benzene

1,3-dichloro-5-[4-(trifluoromethyl)phenyl]benzene (PubChem CID 57139215) has the molecular formula C13H7Cl2F3 and a molecular weight of 291.10 g/mol. Its IUPAC name is 1,3-dichloro-5-[4-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name1,3-dichloro-5-[4-(trifluoromethyl)phenyl]benzene
PubChem CID57139215
Molecular FormulaC13H7Cl2F3
Molecular Weight291.10 g/mol
Exact Mass289.99
IUPAC Name1,3-dichloro-5-[4-(trifluoromethyl)phenyl]benzene
SMILESFC(F)(F)c1ccc(-c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C13H7Cl2F3/c14-11-5-9(6-12(15)7-11)8-1-3-10(4-2-8)13(16,17)18/h1-7H
InChIKeyZBPZUFYVMGQXTE-UHFFFAOYSA-N
XLogP5.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.10
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,3-dichloro-5-[4-(trifluoromethyl)phenyl]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

3-chloro-5-[4-(trifluoromethyl)phenyl]phenol
CID 53221450
4-[3,5-bis(trifluoromethyl)phenyl]benzenesulfonyl chloride;4-(3,5-dichlorophenyl)benzenesulfonyl chloride
CID 162262114
1,2,3,4,5-pentachloro-6-[4-(trifluoromethyl)phenyl]benzene
CID 118809445
1,3-dichloro-5-[3-fluoro-4-(trifluoromethyl)phenyl]benzene
CID 134623705
1-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-3,5-bis(trifluoromethyl)benzene
CID 163216983
chloromethane;1-chloro-4-(trifluoromethyl)benzene
CID 162019017
2,4-dichloro-1-[4-(trifluoromethyl)phenyl]benzene
CID 54501466
2-chloro-4-[4-(trifluoromethyl)phenyl]aniline
CID 23626608
1-methyl-4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]benzene
CID 59630308
(3,5-dichlorophenyl)-[4-(trifluoromethyl)phenyl]methanone
CID 114970678
1-chloro-3,5-bis(trifluoromethyl)benzene
CID 2769405
2,5-dichloro-3-[4-(trifluoromethyl)phenyl]pyridine
CID 119007781

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-5-[4-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 1,3-dichloro-5-[4-(trifluoromethyl)phenyl]benzene (CID 57139215) is 1,3-dichloro-5-[4-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 1,3-dichloro-5-[4-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 1,3-dichloro-5-[4-(trifluoromethyl)phenyl]benzene is FC(F)(F)c1ccc(-c2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of 1,3-dichloro-5-[4-(trifluoromethyl)phenyl]benzene?
The InChIKey is ZBPZUFYVMGQXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2F3/c14-11-5-9(6-12(15)7-11)8-1-3-10(4-2-8)13(16,17)18/h1-7H.
What are the key properties of 1,3-dichloro-5-[4-(trifluoromethyl)phenyl]benzene?
1,3-dichloro-5-[4-(trifluoromethyl)phenyl]benzene has a molecular weight of 291.10 g/mol, XLogP of 5.68, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-5-[4-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 57139215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).