1,3-dichloro-2-(4-methylphenyl)-5-(trifluoromethyl)benzene

C14H9Cl2F3 — CID 22170961

IUPAC1,3-dichloro-2-(4-methylphenyl)-5-(trifluoromethyl)benzene
SMILESCc1ccc(-c2c(Cl)cc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C14H9Cl2F3/c1-8-2-4-9(5-3-8)13-11(15)6-10(7-12(13)16)14(17,18)19/h2-7H,1H3
InChIKeyORZYRTNLLKEFTO-UHFFFAOYSA-N
MW305.13 g/mol
LogP5.99
Rot. Bonds1

About 1,3-dichloro-2-(4-methylphenyl)-5-(trifluoromethyl)benzene

1,3-dichloro-2-(4-methylphenyl)-5-(trifluoromethyl)benzene (PubChem CID 22170961) has the molecular formula C14H9Cl2F3 and a molecular weight of 305.13 g/mol. Its IUPAC name is 1,3-dichloro-2-(4-methylphenyl)-5-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1,3-dichloro-2-(4-methylphenyl)-5-(trifluoromethyl)benzene
PubChem CID22170961
Molecular FormulaC14H9Cl2F3
Molecular Weight305.13 g/mol
Exact Mass304.00
IUPAC Name1,3-dichloro-2-(4-methylphenyl)-5-(trifluoromethyl)benzene
SMILESCc1ccc(-c2c(Cl)cc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C14H9Cl2F3/c1-8-2-4-9(5-3-8)13-11(15)6-10(7-12(13)16)14(17,18)19/h2-7H,1H3
InChIKeyORZYRTNLLKEFTO-UHFFFAOYSA-N
XLogP5.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.13
LogP ≤ 55.99
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-(4-methylphenyl)-5-(trifluoromethyl)benzene?
The IUPAC name of 1,3-dichloro-2-(4-methylphenyl)-5-(trifluoromethyl)benzene (CID 22170961) is 1,3-dichloro-2-(4-methylphenyl)-5-(trifluoromethyl)benzene.
What is the SMILES notation for 1,3-dichloro-2-(4-methylphenyl)-5-(trifluoromethyl)benzene?
The canonical SMILES for 1,3-dichloro-2-(4-methylphenyl)-5-(trifluoromethyl)benzene is Cc1ccc(-c2c(Cl)cc(C(F)(F)F)cc2Cl)cc1.
What is the InChIKey of 1,3-dichloro-2-(4-methylphenyl)-5-(trifluoromethyl)benzene?
The InChIKey is ORZYRTNLLKEFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2F3/c1-8-2-4-9(5-3-8)13-11(15)6-10(7-12(13)16)14(17,18)19/h2-7H,1H3.
What are the key properties of 1,3-dichloro-2-(4-methylphenyl)-5-(trifluoromethyl)benzene?
1,3-dichloro-2-(4-methylphenyl)-5-(trifluoromethyl)benzene has a molecular weight of 305.13 g/mol, XLogP of 5.99, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-2-(4-methylphenyl)-5-(trifluoromethyl)benzene is sourced from PubChem (CID 22170961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).