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

C13H8ClF3O — CID 12918171

IUPAC2-chloro-1-phenoxy-4-(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccc(Oc2ccccc2)c(Cl)c1
InChIInChI=1S/C13H8ClF3O/c14-11-8-9(13(15,16)17)6-7-12(11)18-10-4-2-1-3-5-10/h1-8H
InChIKeyQNZFXABXNYLJPJ-UHFFFAOYSA-N
MW272.65 g/mol
LogP5.15
Rot. Bonds2

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

2-chloro-1-phenoxy-4-(trifluoromethyl)benzene (PubChem CID 12918171) has the molecular formula C13H8ClF3O and a molecular weight of 272.65 g/mol. Its IUPAC name is 2-chloro-1-phenoxy-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-chloro-1-phenoxy-4-(trifluoromethyl)benzene
PubChem CID12918171
Molecular FormulaC13H8ClF3O
Molecular Weight272.65 g/mol
Exact Mass272.02
IUPAC Name2-chloro-1-phenoxy-4-(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccc(Oc2ccccc2)c(Cl)c1
InChIInChI=1S/C13H8ClF3O/c14-11-8-9(13(15,16)17)6-7-12(11)18-10-4-2-1-3-5-10/h1-8H
InChIKeyQNZFXABXNYLJPJ-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 2-chloro-1-phenoxy-4-(trifluoromethyl)benzene?
The IUPAC name of 2-chloro-1-phenoxy-4-(trifluoromethyl)benzene (CID 12918171) is 2-chloro-1-phenoxy-4-(trifluoromethyl)benzene.
What is the SMILES notation for 2-chloro-1-phenoxy-4-(trifluoromethyl)benzene?
The canonical SMILES for 2-chloro-1-phenoxy-4-(trifluoromethyl)benzene is FC(F)(F)c1ccc(Oc2ccccc2)c(Cl)c1.
What is the InChIKey of 2-chloro-1-phenoxy-4-(trifluoromethyl)benzene?
The InChIKey is QNZFXABXNYLJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF3O/c14-11-8-9(13(15,16)17)6-7-12(11)18-10-4-2-1-3-5-10/h1-8H.
What are the key properties of 2-chloro-1-phenoxy-4-(trifluoromethyl)benzene?
2-chloro-1-phenoxy-4-(trifluoromethyl)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 2-chloro-1-phenoxy-4-(trifluoromethyl)benzene is sourced from PubChem (CID 12918171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).