1,3-dichloro-2-ethyl-5-[4-(trifluoromethyl)phenyl]benzene

C15H11Cl2F3 — CID 143573774

IUPAC1,3-dichloro-2-ethyl-5-[4-(trifluoromethyl)phenyl]benzene
SMILESCCc1c(Cl)cc(-c2ccc(C(F)(F)F)cc2)cc1Cl
InChIInChI=1S/C15H11Cl2F3/c1-2-12-13(16)7-10(8-14(12)17)9-3-5-11(6-4-9)15(18,19)20/h3-8H,2H2,1H3
InChIKeyWIZRSLFTYSXVQJ-UHFFFAOYSA-N
MW319.15 g/mol
LogP6.24
Rot. Bonds2

About 1,3-dichloro-2-ethyl-5-[4-(trifluoromethyl)phenyl]benzene

1,3-dichloro-2-ethyl-5-[4-(trifluoromethyl)phenyl]benzene (PubChem CID 143573774) has the molecular formula C15H11Cl2F3 and a molecular weight of 319.15 g/mol. Its IUPAC name is 1,3-dichloro-2-ethyl-5-[4-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name1,3-dichloro-2-ethyl-5-[4-(trifluoromethyl)phenyl]benzene
PubChem CID143573774
Molecular FormulaC15H11Cl2F3
Molecular Weight319.15 g/mol
Exact Mass318.02
IUPAC Name1,3-dichloro-2-ethyl-5-[4-(trifluoromethyl)phenyl]benzene
SMILESCCc1c(Cl)cc(-c2ccc(C(F)(F)F)cc2)cc1Cl
InChIInChI=1S/C15H11Cl2F3/c1-2-12-13(16)7-10(8-14(12)17)9-3-5-11(6-4-9)15(18,19)20/h3-8H,2H2,1H3
InChIKeyWIZRSLFTYSXVQJ-UHFFFAOYSA-N
XLogP6.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.15
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-2-ethyl-5-[4-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 1,3-dichloro-2-ethyl-5-[4-(trifluoromethyl)phenyl]benzene (CID 143573774) is 1,3-dichloro-2-ethyl-5-[4-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 1,3-dichloro-2-ethyl-5-[4-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 1,3-dichloro-2-ethyl-5-[4-(trifluoromethyl)phenyl]benzene is CCc1c(Cl)cc(-c2ccc(C(F)(F)F)cc2)cc1Cl.
What is the InChIKey of 1,3-dichloro-2-ethyl-5-[4-(trifluoromethyl)phenyl]benzene?
The InChIKey is WIZRSLFTYSXVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2F3/c1-2-12-13(16)7-10(8-14(12)17)9-3-5-11(6-4-9)15(18,19)20/h3-8H,2H2,1H3.
What are the key properties of 1,3-dichloro-2-ethyl-5-[4-(trifluoromethyl)phenyl]benzene?
1,3-dichloro-2-ethyl-5-[4-(trifluoromethyl)phenyl]benzene has a molecular weight of 319.15 g/mol, XLogP of 6.24, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-2-ethyl-5-[4-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 143573774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).