1-chloro-2-(3-ethoxyphenoxy)-3-fluoro-5-(trifluoromethyl)benzene

C15H11ClF4O2 — CID 14878490

IUPAC1-chloro-2-(3-ethoxyphenoxy)-3-fluoro-5-(trifluoromethyl)benzene
SMILESCCOc1cccc(Oc2c(F)cc(C(F)(F)F)cc2Cl)c1
InChIInChI=1S/C15H11ClF4O2/c1-2-21-10-4-3-5-11(8-10)22-14-12(16)6-9(7-13(14)17)15(18,19)20/h3-8H,2H2,1H3
InChIKeyZQZGRCPOKXTSBU-UHFFFAOYSA-N
MW334.70 g/mol
LogP5.69
Rot. Bonds4

About 1-chloro-2-(3-ethoxyphenoxy)-3-fluoro-5-(trifluoromethyl)benzene

1-chloro-2-(3-ethoxyphenoxy)-3-fluoro-5-(trifluoromethyl)benzene (PubChem CID 14878490) has the molecular formula C15H11ClF4O2 and a molecular weight of 334.70 g/mol. Its IUPAC name is 1-chloro-2-(3-ethoxyphenoxy)-3-fluoro-5-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-chloro-2-(3-ethoxyphenoxy)-3-fluoro-5-(trifluoromethyl)benzene
PubChem CID14878490
Molecular FormulaC15H11ClF4O2
Molecular Weight334.70 g/mol
Exact Mass334.04
IUPAC Name1-chloro-2-(3-ethoxyphenoxy)-3-fluoro-5-(trifluoromethyl)benzene
SMILESCCOc1cccc(Oc2c(F)cc(C(F)(F)F)cc2Cl)c1
InChIInChI=1S/C15H11ClF4O2/c1-2-21-10-4-3-5-11(8-10)22-14-12(16)6-9(7-13(14)17)15(18,19)20/h3-8H,2H2,1H3
InChIKeyZQZGRCPOKXTSBU-UHFFFAOYSA-N
XLogP5.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.70
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(3-ethoxyphenoxy)-3-fluoro-5-(trifluoromethyl)benzene?
The IUPAC name of 1-chloro-2-(3-ethoxyphenoxy)-3-fluoro-5-(trifluoromethyl)benzene (CID 14878490) is 1-chloro-2-(3-ethoxyphenoxy)-3-fluoro-5-(trifluoromethyl)benzene.
What is the SMILES notation for 1-chloro-2-(3-ethoxyphenoxy)-3-fluoro-5-(trifluoromethyl)benzene?
The canonical SMILES for 1-chloro-2-(3-ethoxyphenoxy)-3-fluoro-5-(trifluoromethyl)benzene is CCOc1cccc(Oc2c(F)cc(C(F)(F)F)cc2Cl)c1.
What is the InChIKey of 1-chloro-2-(3-ethoxyphenoxy)-3-fluoro-5-(trifluoromethyl)benzene?
The InChIKey is ZQZGRCPOKXTSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF4O2/c1-2-21-10-4-3-5-11(8-10)22-14-12(16)6-9(7-13(14)17)15(18,19)20/h3-8H,2H2,1H3.
What are the key properties of 1-chloro-2-(3-ethoxyphenoxy)-3-fluoro-5-(trifluoromethyl)benzene?
1-chloro-2-(3-ethoxyphenoxy)-3-fluoro-5-(trifluoromethyl)benzene has a molecular weight of 334.70 g/mol, XLogP of 5.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(3-ethoxyphenoxy)-3-fluoro-5-(trifluoromethyl)benzene is sourced from PubChem (CID 14878490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).