1-chloro-2-[4-(trifluoromethyl)phenoxy]benzene

C13H8ClF3O — CID 91128117

IUPAC1-chloro-2-[4-(trifluoromethyl)phenoxy]benzene
SMILESFC(F)(F)c1ccc(Oc2ccccc2Cl)cc1
InChIInChI=1S/C13H8ClF3O/c14-11-3-1-2-4-12(11)18-10-7-5-9(6-8-10)13(15,16)17/h1-8H
InChIKeyTYVDRKKRNPXHIG-UHFFFAOYSA-N
MW272.65 g/mol
LogP5.15
Rot. Bonds2

About 1-chloro-2-[4-(trifluoromethyl)phenoxy]benzene

1-chloro-2-[4-(trifluoromethyl)phenoxy]benzene (PubChem CID 91128117) has the molecular formula C13H8ClF3O and a molecular weight of 272.65 g/mol. Its IUPAC name is 1-chloro-2-[4-(trifluoromethyl)phenoxy]benzene.

Molecular Properties

Compound Name1-chloro-2-[4-(trifluoromethyl)phenoxy]benzene
PubChem CID91128117
Molecular FormulaC13H8ClF3O
Molecular Weight272.65 g/mol
Exact Mass272.02
IUPAC Name1-chloro-2-[4-(trifluoromethyl)phenoxy]benzene
SMILESFC(F)(F)c1ccc(Oc2ccccc2Cl)cc1
InChIInChI=1S/C13H8ClF3O/c14-11-3-1-2-4-12(11)18-10-7-5-9(6-8-10)13(15,16)17/h1-8H
InChIKeyTYVDRKKRNPXHIG-UHFFFAOYSA-N
XLogP5.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.65
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[4-(trifluoromethyl)phenoxy]benzene?
The IUPAC name of 1-chloro-2-[4-(trifluoromethyl)phenoxy]benzene (CID 91128117) is 1-chloro-2-[4-(trifluoromethyl)phenoxy]benzene.
What is the SMILES notation for 1-chloro-2-[4-(trifluoromethyl)phenoxy]benzene?
The canonical SMILES for 1-chloro-2-[4-(trifluoromethyl)phenoxy]benzene is FC(F)(F)c1ccc(Oc2ccccc2Cl)cc1.
What is the InChIKey of 1-chloro-2-[4-(trifluoromethyl)phenoxy]benzene?
The InChIKey is TYVDRKKRNPXHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF3O/c14-11-3-1-2-4-12(11)18-10-7-5-9(6-8-10)13(15,16)17/h1-8H.
What are the key properties of 1-chloro-2-[4-(trifluoromethyl)phenoxy]benzene?
1-chloro-2-[4-(trifluoromethyl)phenoxy]benzene has a molecular weight of 272.65 g/mol, XLogP of 5.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[4-(trifluoromethyl)phenoxy]benzene is sourced from PubChem (CID 91128117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).