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

C15H12ClF3O — CID 67773996

IUPAC1-chloro-4-(4-ethylphenoxy)-2-(trifluoromethyl)benzene
SMILESCCc1ccc(Oc2ccc(Cl)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C15H12ClF3O/c1-2-10-3-5-11(6-4-10)20-12-7-8-14(16)13(9-12)15(17,18)19/h3-9H,2H2,1H3
InChIKeyKXKBKIDILBZPCG-UHFFFAOYSA-N
MW300.71 g/mol
LogP5.71
Rot. Bonds3

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

1-chloro-4-(4-ethylphenoxy)-2-(trifluoromethyl)benzene (PubChem CID 67773996) has the molecular formula C15H12ClF3O and a molecular weight of 300.71 g/mol. Its IUPAC name is 1-chloro-4-(4-ethylphenoxy)-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-chloro-4-(4-ethylphenoxy)-2-(trifluoromethyl)benzene
PubChem CID67773996
Molecular FormulaC15H12ClF3O
Molecular Weight300.71 g/mol
Exact Mass300.05
IUPAC Name1-chloro-4-(4-ethylphenoxy)-2-(trifluoromethyl)benzene
SMILESCCc1ccc(Oc2ccc(Cl)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C15H12ClF3O/c1-2-10-3-5-11(6-4-10)20-12-7-8-14(16)13(9-12)15(17,18)19/h3-9H,2H2,1H3
InChIKeyKXKBKIDILBZPCG-UHFFFAOYSA-N
XLogP5.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.71
LogP ≤ 55.71
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-ethylphenoxy)-2-(trifluoromethyl)benzene?
The IUPAC name of 1-chloro-4-(4-ethylphenoxy)-2-(trifluoromethyl)benzene (CID 67773996) is 1-chloro-4-(4-ethylphenoxy)-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-chloro-4-(4-ethylphenoxy)-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-chloro-4-(4-ethylphenoxy)-2-(trifluoromethyl)benzene is CCc1ccc(Oc2ccc(Cl)c(C(F)(F)F)c2)cc1.
What is the InChIKey of 1-chloro-4-(4-ethylphenoxy)-2-(trifluoromethyl)benzene?
The InChIKey is KXKBKIDILBZPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3O/c1-2-10-3-5-11(6-4-10)20-12-7-8-14(16)13(9-12)15(17,18)19/h3-9H,2H2,1H3.
What are the key properties of 1-chloro-4-(4-ethylphenoxy)-2-(trifluoromethyl)benzene?
1-chloro-4-(4-ethylphenoxy)-2-(trifluoromethyl)benzene has a molecular weight of 300.71 g/mol, XLogP of 5.71, 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-ethylphenoxy)-2-(trifluoromethyl)benzene is sourced from PubChem (CID 67773996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).