ethyl 2-[2-chloro-5-[5-(trifluoromethyl)-2-pyridinyl]phenoxy]propanoate

C17H15ClF3NO3 — CID 139719044

IUPACethyl 2-[2-chloro-5-[5-(trifluoromethyl)-2-pyridinyl]phenoxy]propanoate
SMILESCCOC(=O)C(C)Oc1cc(-c2ccc(C(F)(F)F)cn2)ccc1Cl
InChIInChI=1S/C17H15ClF3NO3/c1-3-24-16(23)10(2)25-15-8-11(4-6-13(15)18)14-7-5-12(9-22-14)17(19,20)21/h4-10H,3H2,1-2H3
InChIKeyKIWXANXSPXPCLA-UHFFFAOYSA-N
MW373.76 g/mol
LogP4.75
Rot. Bonds5

About ethyl 2-[2-chloro-5-[5-(trifluoromethyl)-2-pyridinyl]phenoxy]propanoate

ethyl 2-[2-chloro-5-[5-(trifluoromethyl)-2-pyridinyl]phenoxy]propanoate (PubChem CID 139719044) has the molecular formula C17H15ClF3NO3 and a molecular weight of 373.76 g/mol. Its IUPAC name is ethyl 2-[2-chloro-5-[5-(trifluoromethyl)-2-pyridinyl]phenoxy]propanoate.

Molecular Properties

Compound Nameethyl 2-[2-chloro-5-[5-(trifluoromethyl)-2-pyridinyl]phenoxy]propanoate
PubChem CID139719044
Molecular FormulaC17H15ClF3NO3
Molecular Weight373.76 g/mol
Exact Mass373.07
IUPAC Nameethyl 2-[2-chloro-5-[5-(trifluoromethyl)-2-pyridinyl]phenoxy]propanoate
SMILESCCOC(=O)C(C)Oc1cc(-c2ccc(C(F)(F)F)cn2)ccc1Cl
InChIInChI=1S/C17H15ClF3NO3/c1-3-24-16(23)10(2)25-15-8-11(4-6-13(15)18)14-7-5-12(9-22-14)17(19,20)21/h4-10H,3H2,1-2H3
InChIKeyKIWXANXSPXPCLA-UHFFFAOYSA-N
XLogP4.75
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.76
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-chloro-5-[5-(trifluoromethyl)-2-pyridinyl]phenoxy]propanoate?
The IUPAC name of ethyl 2-[2-chloro-5-[5-(trifluoromethyl)-2-pyridinyl]phenoxy]propanoate (CID 139719044) is ethyl 2-[2-chloro-5-[5-(trifluoromethyl)-2-pyridinyl]phenoxy]propanoate.
What is the SMILES notation for ethyl 2-[2-chloro-5-[5-(trifluoromethyl)-2-pyridinyl]phenoxy]propanoate?
The canonical SMILES for ethyl 2-[2-chloro-5-[5-(trifluoromethyl)-2-pyridinyl]phenoxy]propanoate is CCOC(=O)C(C)Oc1cc(-c2ccc(C(F)(F)F)cn2)ccc1Cl.
What is the InChIKey of ethyl 2-[2-chloro-5-[5-(trifluoromethyl)-2-pyridinyl]phenoxy]propanoate?
The InChIKey is KIWXANXSPXPCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF3NO3/c1-3-24-16(23)10(2)25-15-8-11(4-6-13(15)18)14-7-5-12(9-22-14)17(19,20)21/h4-10H,3H2,1-2H3.
What are the key properties of ethyl 2-[2-chloro-5-[5-(trifluoromethyl)-2-pyridinyl]phenoxy]propanoate?
ethyl 2-[2-chloro-5-[5-(trifluoromethyl)-2-pyridinyl]phenoxy]propanoate has a molecular weight of 373.76 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-chloro-5-[5-(trifluoromethyl)-2-pyridinyl]phenoxy]propanoate is sourced from PubChem (CID 139719044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).