1-chloro-4-(4-ethenyl-2-fluorophenoxy)-2-(trifluoromethyl)benzene

C15H9ClF4O — CID 67774659

IUPAC1-chloro-4-(4-ethenyl-2-fluorophenoxy)-2-(trifluoromethyl)benzene
SMILESC=Cc1ccc(Oc2ccc(Cl)c(C(F)(F)F)c2)c(F)c1
InChIInChI=1S/C15H9ClF4O/c1-2-9-3-6-14(13(17)7-9)21-10-4-5-12(16)11(8-10)15(18,19)20/h2-8H,1H2
InChIKeyXWYXHYNWLAKIPY-UHFFFAOYSA-N
MW316.68 g/mol
LogP5.93
Rot. Bonds3

About 1-chloro-4-(4-ethenyl-2-fluorophenoxy)-2-(trifluoromethyl)benzene

1-chloro-4-(4-ethenyl-2-fluorophenoxy)-2-(trifluoromethyl)benzene (PubChem CID 67774659) has the molecular formula C15H9ClF4O and a molecular weight of 316.68 g/mol. Its IUPAC name is 1-chloro-4-(4-ethenyl-2-fluorophenoxy)-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-chloro-4-(4-ethenyl-2-fluorophenoxy)-2-(trifluoromethyl)benzene
PubChem CID67774659
Molecular FormulaC15H9ClF4O
Molecular Weight316.68 g/mol
Exact Mass316.03
IUPAC Name1-chloro-4-(4-ethenyl-2-fluorophenoxy)-2-(trifluoromethyl)benzene
SMILESC=Cc1ccc(Oc2ccc(Cl)c(C(F)(F)F)c2)c(F)c1
InChIInChI=1S/C15H9ClF4O/c1-2-9-3-6-14(13(17)7-9)21-10-4-5-12(16)11(8-10)15(18,19)20/h2-8H,1H2
InChIKeyXWYXHYNWLAKIPY-UHFFFAOYSA-N
XLogP5.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.68
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(4-ethenyl-2-fluorophenoxy)-2-(trifluoromethyl)benzene?
The IUPAC name of 1-chloro-4-(4-ethenyl-2-fluorophenoxy)-2-(trifluoromethyl)benzene (CID 67774659) is 1-chloro-4-(4-ethenyl-2-fluorophenoxy)-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-chloro-4-(4-ethenyl-2-fluorophenoxy)-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-chloro-4-(4-ethenyl-2-fluorophenoxy)-2-(trifluoromethyl)benzene is C=Cc1ccc(Oc2ccc(Cl)c(C(F)(F)F)c2)c(F)c1.
What is the InChIKey of 1-chloro-4-(4-ethenyl-2-fluorophenoxy)-2-(trifluoromethyl)benzene?
The InChIKey is XWYXHYNWLAKIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF4O/c1-2-9-3-6-14(13(17)7-9)21-10-4-5-12(16)11(8-10)15(18,19)20/h2-8H,1H2.
What are the key properties of 1-chloro-4-(4-ethenyl-2-fluorophenoxy)-2-(trifluoromethyl)benzene?
1-chloro-4-(4-ethenyl-2-fluorophenoxy)-2-(trifluoromethyl)benzene has a molecular weight of 316.68 g/mol, XLogP of 5.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(4-ethenyl-2-fluorophenoxy)-2-(trifluoromethyl)benzene is sourced from PubChem (CID 67774659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).