2,4-dichloro-1-(trifluoromethoxy)benzene

C7H3Cl2F3O — CID 2736862

IUPAC2,4-dichloro-1-(trifluoromethoxy)benzene
SMILESFC(F)(F)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C7H3Cl2F3O/c8-4-1-2-6(5(9)3-4)13-7(10,11)12/h1-3H
InChIKeyJYGSLPHFBUKVNC-UHFFFAOYSA-N
MW231.00 g/mol
LogP3.89
Rot. Bonds1

About 2,4-dichloro-1-(trifluoromethoxy)benzene

2,4-dichloro-1-(trifluoromethoxy)benzene (PubChem CID 2736862) has the molecular formula C7H3Cl2F3O and a molecular weight of 231.00 g/mol. Its IUPAC name is 2,4-dichloro-1-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name2,4-dichloro-1-(trifluoromethoxy)benzene
PubChem CID2736862
Molecular FormulaC7H3Cl2F3O
Molecular Weight231.00 g/mol
Exact Mass229.95
IUPAC Name2,4-dichloro-1-(trifluoromethoxy)benzene
SMILESFC(F)(F)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C7H3Cl2F3O/c8-4-1-2-6(5(9)3-4)13-7(10,11)12/h1-3H
InChIKeyJYGSLPHFBUKVNC-UHFFFAOYSA-N
XLogP3.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.00
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1-(trifluoromethoxy)benzene?
The IUPAC name of 2,4-dichloro-1-(trifluoromethoxy)benzene (CID 2736862) is 2,4-dichloro-1-(trifluoromethoxy)benzene.
What is the SMILES notation for 2,4-dichloro-1-(trifluoromethoxy)benzene?
The canonical SMILES for 2,4-dichloro-1-(trifluoromethoxy)benzene is FC(F)(F)Oc1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-1-(trifluoromethoxy)benzene?
The InChIKey is JYGSLPHFBUKVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl2F3O/c8-4-1-2-6(5(9)3-4)13-7(10,11)12/h1-3H.
What are the key properties of 2,4-dichloro-1-(trifluoromethoxy)benzene?
2,4-dichloro-1-(trifluoromethoxy)benzene has a molecular weight of 231.00 g/mol, XLogP of 3.89, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1-(trifluoromethoxy)benzene is sourced from PubChem (CID 2736862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).