2-chloro-1-(3-ethoxyphenoxy)-4-(trifluoromethyl)benzene

C15H12ClF3O2 — CID 12939677

IUPAC2-chloro-1-(3-ethoxyphenoxy)-4-(trifluoromethyl)benzene
SMILESCCOc1cccc(Oc2ccc(C(F)(F)F)cc2Cl)c1
InChIInChI=1S/C15H12ClF3O2/c1-2-20-11-4-3-5-12(9-11)21-14-7-6-10(8-13(14)16)15(17,18)19/h3-9H,2H2,1H3
InChIKeyDFVSKWQXKDBGHA-UHFFFAOYSA-N
MW316.71 g/mol
LogP5.55
Rot. Bonds4

About 2-chloro-1-(3-ethoxyphenoxy)-4-(trifluoromethyl)benzene

2-chloro-1-(3-ethoxyphenoxy)-4-(trifluoromethyl)benzene (PubChem CID 12939677) has the molecular formula C15H12ClF3O2 and a molecular weight of 316.71 g/mol. Its IUPAC name is 2-chloro-1-(3-ethoxyphenoxy)-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-chloro-1-(3-ethoxyphenoxy)-4-(trifluoromethyl)benzene
PubChem CID12939677
Molecular FormulaC15H12ClF3O2
Molecular Weight316.71 g/mol
Exact Mass316.05
IUPAC Name2-chloro-1-(3-ethoxyphenoxy)-4-(trifluoromethyl)benzene
SMILESCCOc1cccc(Oc2ccc(C(F)(F)F)cc2Cl)c1
InChIInChI=1S/C15H12ClF3O2/c1-2-20-11-4-3-5-12(9-11)21-14-7-6-10(8-13(14)16)15(17,18)19/h3-9H,2H2,1H3
InChIKeyDFVSKWQXKDBGHA-UHFFFAOYSA-N
XLogP5.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.71
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(3-ethoxyphenoxy)-4-(trifluoromethyl)benzene?
The IUPAC name of 2-chloro-1-(3-ethoxyphenoxy)-4-(trifluoromethyl)benzene (CID 12939677) is 2-chloro-1-(3-ethoxyphenoxy)-4-(trifluoromethyl)benzene.
What is the SMILES notation for 2-chloro-1-(3-ethoxyphenoxy)-4-(trifluoromethyl)benzene?
The canonical SMILES for 2-chloro-1-(3-ethoxyphenoxy)-4-(trifluoromethyl)benzene is CCOc1cccc(Oc2ccc(C(F)(F)F)cc2Cl)c1.
What is the InChIKey of 2-chloro-1-(3-ethoxyphenoxy)-4-(trifluoromethyl)benzene?
The InChIKey is DFVSKWQXKDBGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3O2/c1-2-20-11-4-3-5-12(9-11)21-14-7-6-10(8-13(14)16)15(17,18)19/h3-9H,2H2,1H3.
What are the key properties of 2-chloro-1-(3-ethoxyphenoxy)-4-(trifluoromethyl)benzene?
2-chloro-1-(3-ethoxyphenoxy)-4-(trifluoromethyl)benzene has a molecular weight of 316.71 g/mol, XLogP of 5.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(3-ethoxyphenoxy)-4-(trifluoromethyl)benzene is sourced from PubChem (CID 12939677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).